data_2rqr_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 2rqr _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 18.1 ttm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.418 ' NE2' HG13 ' A' ' 83' ' ' VAL . 2.0 t-80 -95.38 118.04 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.92 169.66 16.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.451 ' CG2' ' HD2' ' A' ' 116' ' ' LYS . 14.2 t -144.86 130.5 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.05 126.44 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.405 ' C ' HG12 ' A' ' 80' ' ' ILE . 18.3 pt -105.2 -25.77 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.533 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 48.8 m-85 -122.97 137.33 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -67.71 111.32 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -99.5 135.65 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -119.55 111.3 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.27 -176.45 24.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -118.89 -41.61 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.94 154.63 13.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.531 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.29 153.78 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.4 Cg_endo -69.73 -2.77 7.28 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.365 0.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.426 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 43.1 mt-30 -70.81 133.38 46.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.21 140.15 52.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.2 p -78.67 156.31 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.494 HD13 ' CG ' ' A' ' 108' ' ' PHE . 24.4 mt -146.65 152.78 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -129.58 133.9 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.405 HG12 ' C ' ' A' ' 65' ' ' ILE . 88.9 mt -47.45 132.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.11 15.35 59.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.79 139.98 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 84' ' ' VAL . 90.5 t -105.34 137.84 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.455 ' N ' HG11 ' A' ' 83' ' ' VAL . 32.1 m -124.77 144.84 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -83.39 100.62 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.4 mt -73.49 119.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.52 -42.25 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.68 171.7 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -145.55 113.53 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.1 133.85 55.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -130.21 5.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.434 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 54.7 m-20 -100.46 35.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 41.2 m95 -145.12 141.46 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.526 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 36.2 m-85 -94.07 161.12 14.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -128.44 119.05 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.65 -145.34 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.464 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 4.1 p90 -157.97 168.61 26.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 0.0 110.937 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 10.0 tp -77.41 112.95 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.3 mt -55.34 -42.84 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.47 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 12.7 ptpt -68.45 -34.71 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -135.0 85.29 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -22.64 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.7 ptm -48.24 -20.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.26 125.76 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 66.6 mt-30 -134.98 152.59 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.23 10.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.54 167.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.494 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -159.53 160.82 27.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 133.46 25.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.526 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.0 mtpt -64.38 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -66.65 -13.03 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.3 m-85 -103.74 -14.57 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.0 mm -98.76 125.01 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.63 98.48 9.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.457 ' CG2' ' HD3' ' A' ' 60' ' ' ARG . 37.0 mm -67.41 111.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.451 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 27.4 mtpt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.464 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.9 t-80 -99.27 118.87 36.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -124.04 168.67 16.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.488 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.42 131.72 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.98 130.69 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.42 HG13 ' CD2' ' A' ' 66' ' ' TYR . 14.6 pt -107.73 -16.91 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.448 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 63.2 m-85 -136.15 140.52 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -66.42 104.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -90.46 133.0 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -128.23 107.59 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.11 -153.06 27.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -121.67 -42.79 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.13 162.21 24.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.527 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.69 151.26 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -3.81 7.92 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.357 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -69.9 140.54 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -129.52 141.49 50.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 p -77.81 162.04 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.509 HD12 ' CG ' ' A' ' 108' ' ' PHE . 19.7 mt -147.39 156.14 42.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -128.39 136.46 50.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -48.75 124.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.38 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.66 133.01 54.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG1' ' NE2' ' A' ' 61' ' ' HIS . 96.2 t -101.15 128.19 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.402 ' CG1' HD23 ' A' ' 78' ' ' LEU . 27.7 m -119.72 141.99 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -83.38 110.52 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.3 mt -80.33 128.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -113.26 -39.52 4.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.63 149.06 47.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.4 m -119.61 114.83 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 72.4 m -116.19 116.87 28.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.39 -132.74 4.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 5.7 t70 -88.94 43.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 52.3 m95 -156.29 136.78 13.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 44.2 m-85 -93.99 157.48 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -122.77 116.87 24.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.82 -146.04 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -157.74 163.73 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 7.3 tp -72.65 113.54 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.455 HD13 ' CG1' ' A' ' 83' ' ' VAL . 61.6 mt -60.22 -44.49 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.571 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 8.4 pttt -64.17 -10.17 21.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 100' ' ' LYS . 27.8 m-70 -162.87 107.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -84.37 28.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 33.4 mtm -103.68 -2.7 26.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.452 ' N ' HD11 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -135.02 117.01 15.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -126.19 150.58 48.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 167.91 -147.39 11.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 10.0 pt -131.86 168.22 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.509 ' CG ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -160.28 161.38 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.75 135.24 29.99 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 3.4 mtmm -63.84 -31.7 72.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.6 t -60.82 -12.64 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.448 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 6.2 m-85 -104.37 -19.82 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.9 mm -95.68 121.51 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -95.55 95.93 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.1 mm -65.02 115.19 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.822 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.414 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 22.7 ttm-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.413 ' NE2' HG12 ' A' ' 83' ' ' VAL . 1.7 t-80 -112.51 118.35 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.08 161.74 17.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.3 t -142.5 127.29 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.87 123.73 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 pt -104.96 -19.73 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.415 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 37.6 m-85 -126.29 140.19 52.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -69.34 108.85 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -103.12 135.94 43.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -134.64 117.18 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.79 -152.94 14.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 t -120.42 -47.08 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 178.03 158.04 20.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.525 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.6 152.94 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.76 -2.98 7.43 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.346 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 31.6 mt-30 -70.95 128.34 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.9 tp -114.33 138.63 50.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.6 p -77.1 160.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 108' ' ' PHE . 26.5 mt -150.55 148.44 28.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -130.12 138.91 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.3 mt -48.27 136.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.94 70.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.44 134.16 52.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 84' ' ' VAL . 85.0 t -104.71 138.98 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.464 ' N ' HG13 ' A' ' 83' ' ' VAL . 24.3 m -129.62 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -84.02 100.02 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.36 117.01 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -108.48 -38.53 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 3.0 mm-40 -127.55 164.62 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 m -145.46 115.32 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' GLY . 92.9 m -122.47 130.35 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.08 -130.97 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.429 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.553 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 57.0 m-20 -93.08 41.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.553 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 44.0 m95 -152.42 143.57 23.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 31.7 m-85 -94.08 172.65 8.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.473 ' CG ' ' HB2' ' A' ' 88' ' ' GLU . 40.5 tpt85 -144.98 109.06 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.59 -140.03 2.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.425 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 3.8 p90 -157.73 168.51 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.953 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.413 HD13 ' CG1' ' A' ' 84' ' ' VAL . 10.3 tp -78.94 116.77 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.6 mt -57.11 -53.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.407 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.56 -25.84 53.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.58 105.08 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -83.63 19.77 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.1 mmt -94.58 -11.77 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.453 ' N ' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -122.25 119.58 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -132.38 147.88 52.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.0 -144.02 8.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.9 pt -130.87 159.2 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.444 ' CB ' HD11 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -153.72 160.15 31.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.865 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.6 Cg_endo -69.66 130.67 19.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.388 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.5 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 6.3 mtpm? -60.14 -38.03 81.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.1 p -55.75 -15.98 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 15.7 m-85 -96.54 -25.48 15.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.2 mm -92.08 128.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -99.26 100.63 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.414 ' CG2' ' HD3' ' A' ' 60' ' ' ARG . 38.6 mm -67.15 106.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.9 mttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.844 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.855 0.359 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.413 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.6 t-80 -94.43 123.38 37.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.18 166.04 23.39 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.7 t -140.0 127.57 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 120.23 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 pt -97.14 -31.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -114.83 139.64 49.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -68.85 109.88 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.88 147.9 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -136.71 126.67 25.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.85 -178.21 15.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.7 t -109.23 -37.68 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.31 160.48 21.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.13 152.01 0.23 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.68 -3.77 7.79 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -71.61 133.61 45.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 10.6 tp -122.25 138.51 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 154.74 31.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.2 mt -149.2 153.41 37.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -129.88 137.22 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.2 mt -48.36 135.07 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.08 15.6 62.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -110.35 145.39 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 84' ' ' VAL . 90.3 t -110.13 144.04 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.467 ' N ' HG12 ' A' ' 83' ' ' VAL . 32.2 m -132.5 144.73 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.408 ' NH1' HD13 ' A' ' 99' ' ' ILE . 8.2 tpp180 -83.87 98.56 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.0 117.35 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -103.33 -42.52 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -135.24 159.03 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -137.34 127.93 26.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLY . 60.4 m -127.98 140.59 51.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.08 -110.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.48 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 6.3 m-20 -118.6 44.77 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 54.8 m95 -151.01 142.83 23.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.568 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 15.9 m-85 -94.4 154.34 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.76 109.39 12.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.28 -144.95 4.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.5 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 3.5 p90 -158.03 161.17 38.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.73 114.94 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.408 HD13 ' NH1' ' A' ' 85' ' ' ARG . 54.3 mt -57.25 -55.06 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -30.09 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 104' ' ' LEU . 70.1 m-70 -135.0 90.05 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.5 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 19.8 mmtp -70.02 -0.64 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.1 mmm -80.94 4.34 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 101' ' ' HIS . 2.3 mp -136.38 116.14 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.447 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 26.9 mt-30 -130.43 149.95 51.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.81 -142.36 7.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.37 164.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.435 ' C ' ' CE3' ' A' ' 93' ' ' TRP . 1.0 OUTLIER -159.07 160.82 28.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.911 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.82 124.37 10.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.568 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 51.1 mtpt -55.14 -35.51 64.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.9 p -59.26 -11.91 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.449 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.4 m-85 -101.11 -18.66 16.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -100.41 131.02 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -100.49 107.04 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 51.8 mm -65.75 116.8 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.474 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.4 t-160 -120.95 117.82 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -122.35 170.62 15.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.4 ' CG2' ' HZ1' ' A' ' 116' ' ' LYS . 4.9 t -143.65 131.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 124.3 22.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 pt -106.35 -16.94 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -135.68 134.5 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -60.4 105.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -93.71 140.79 29.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -140.09 105.97 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -148.5 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.7 t -126.2 -46.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.67 157.61 19.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.534 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.81 153.58 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -2.95 7.41 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.372 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.417 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 10.2 mt-30 -71.62 128.84 37.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.93 139.23 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.9 p -78.17 163.07 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 mt -146.25 156.72 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -128.37 136.69 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.8 mt -51.41 132.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.26 11.75 68.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.61 133.44 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.474 ' CG1' ' NE2' ' A' ' 61' ' ' HIS . 62.1 t -98.73 146.07 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.42 143.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -82.99 103.03 12.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.7 mt -70.87 132.02 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -116.99 -33.78 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -148.99 163.2 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.512 HG22 ' CD1' ' A' ' 94' ' ' TYR . 11.0 m -140.68 122.52 15.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 27.4 t -115.48 130.7 56.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.99 -98.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 9.9 m-20 -123.17 51.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 71.7 m95 -156.74 132.88 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.512 ' CD1' HG22 ' A' ' 89' ' ' THR . 13.6 m-85 -94.32 141.84 28.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -112.81 138.09 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.2 -147.91 12.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 4.6 p90 -156.88 162.78 39.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 10.2 tp -73.71 113.46 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 69.1 mt -53.65 -55.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.464 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 5.2 ptpt -52.38 -28.93 21.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -145.56 105.16 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 8.8 mtmm -84.33 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 103' ' ' MET . 3.0 mpp? -99.93 -7.33 25.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.85 105.82 8.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -115.82 150.82 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 165.75 -146.27 10.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' PRO . 37.5 pt -130.89 167.22 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -158.56 160.28 29.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.477 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.5 Cg_endo -69.78 128.74 16.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.684 2.256 . . . . 0.0 112.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.483 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 13.4 mtmt -59.42 -31.43 69.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.8 p -64.24 -8.69 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.477 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 11.8 m-85 -105.29 -18.32 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.5 mm -96.74 136.2 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -105.92 97.25 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.9 mm -69.05 104.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.4 ' HZ1' ' CG2' ' A' ' 63' ' ' VAL . 22.6 mtmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.405 ' NE2' HG12 ' A' ' 83' ' ' VAL . 2.0 t-80 -104.02 121.79 43.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -127.27 165.6 20.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.437 HG23 ' CE ' ' A' ' 116' ' ' LYS . 15.4 t -141.27 127.19 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.56 127.87 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 pt -110.99 -15.48 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.55 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 29.8 m-85 -128.81 135.26 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -67.33 99.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -91.44 144.6 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -135.26 116.77 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.65 -165.89 21.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 -40.77 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 175.13 153.94 10.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.85 151.08 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.2 Cg_endo -69.79 -4.46 8.35 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.372 0.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -68.91 139.14 55.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 104' ' ' LEU . 5.2 tp -129.15 147.33 50.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.42 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 99.0 p -85.61 158.01 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD13 ' CG ' ' A' ' 108' ' ' PHE . 20.0 mt -147.61 152.05 37.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -128.54 135.25 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.8 mt -47.56 128.44 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.88 18.17 41.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -111.97 144.09 41.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 84' ' ' VAL . 83.9 t -111.17 134.5 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.419 ' N ' HG13 ' A' ' 83' ' ' VAL . 33.0 m -123.98 143.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -81.13 105.69 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.34 127.26 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -114.56 -39.79 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -140.87 155.38 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.0 m -127.75 105.41 8.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLY . 23.8 m -107.51 129.76 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.48 -142.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.492 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 4.7 m-20 -81.15 42.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 52.0 m95 -151.71 143.14 23.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 15.6 m-85 -96.44 164.34 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 106' ' ' GLY . 9.9 tpt85 -127.42 118.56 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 177.27 -157.42 22.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -152.37 162.49 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 19.8 tp -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 65.9 mt -56.25 -54.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.401 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 12.9 ptmt -56.3 -32.12 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -135.0 82.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.31 -3.87 9.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.9 ptp -66.26 -16.64 64.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 76' ' ' LEU . 0.5 OUTLIER -124.97 129.06 49.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -135.37 153.19 51.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 167.24 -143.61 8.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.1 pt -131.01 168.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -160.61 161.43 24.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.732 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 133.1 24.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.524 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 28.8 mtpt -63.01 -25.77 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.6 p -68.41 -11.06 59.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.8 m-85 -104.4 -17.85 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.417 HG13 ' CD1' ' A' ' 108' ' ' PHE . 51.2 mm -99.78 123.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -98.17 101.03 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.4 mm -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.437 ' CE ' HG23 ' A' ' 63' ' ' VAL . 67.0 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 83' ' ' VAL . 1.9 t-80 -94.86 118.27 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -125.0 167.27 17.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.8 t -142.76 133.71 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.59 130.07 41.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.4 pt -109.64 -15.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -138.46 141.83 39.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.25 105.69 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -98.07 121.09 39.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -124.02 109.61 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.47 -153.3 26.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -118.27 -40.53 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.97 159.28 19.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.43 151.12 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.1 Cg_endo -69.77 -3.61 7.82 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.364 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -69.25 123.12 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.4 tp -109.64 140.07 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.8 p -75.85 154.87 35.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD11 ' CG ' ' A' ' 108' ' ' PHE . 20.7 mt -146.27 154.68 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -129.98 134.49 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.6 mt -47.37 128.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.26 17.5 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.59 131.77 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 84' ' ' VAL . 48.9 t -96.75 142.08 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.474 ' N ' HG13 ' A' ' 83' ' ' VAL . 29.6 m -132.46 134.32 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.446 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 15.0 mmt180 -76.26 99.99 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.4 mt -70.8 120.01 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -104.69 -41.94 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 89' ' ' THR . 4.4 tm-20 -137.88 156.79 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 88' ' ' GLU . 40.1 m -132.13 110.03 10.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.5 p -100.75 121.3 41.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.4 -121.74 2.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 0.6 OUTLIER -96.06 37.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 35.1 m95 -146.98 150.2 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 25.2 m-85 -100.57 169.27 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.623 HH11 ' N ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -139.58 115.29 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.623 ' N ' HH11 ' A' ' 95' ' ' ARG . . . -172.6 -152.57 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 4.6 p90 -153.54 161.27 42.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 tp -70.41 118.93 13.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.6 mt -64.23 -48.86 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 13.3 ptpt -58.49 -14.3 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 95.0 m-70 -161.05 106.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 5.6 mmmm -75.15 1.79 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.9 mtm -76.92 1.99 16.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -135.48 130.52 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 37.6 mt-30 -147.88 148.9 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.454 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 165.91 -145.76 10.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.28 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CG ' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -151.58 160.26 32.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.744 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.74 133.16 24.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.563 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 14.3 mtpp -63.2 -22.56 66.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.6 m -70.97 -10.0 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 16.4 m-85 -106.15 -13.6 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -100.02 134.86 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -105.89 96.29 6.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.4 mm -65.84 112.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.434 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.8 t-80 -93.23 119.36 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -124.02 165.15 16.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.7 t -145.04 130.1 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.72 136.41 52.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.54 HG13 ' CD2' ' A' ' 66' ' ' TYR . 16.0 pt -114.11 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.54 ' CD2' HG13 ' A' ' 65' ' ' ILE . 45.8 m-85 -135.48 136.46 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.84 105.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.96 141.7 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -138.13 113.6 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.17 -151.1 17.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.79 -43.48 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.18 162.59 24.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.5 150.94 0.15 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.77 -3.33 7.65 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.348 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -71.23 130.95 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.5 tp -117.06 137.99 51.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.0 p -77.78 151.06 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.508 HD13 ' CG ' ' A' ' 108' ' ' PHE . 14.1 mt -140.13 155.73 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -129.79 146.94 51.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.5 mt -55.02 129.11 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.65 26.68 41.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.455 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.84 132.69 54.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG1' ' NE2' ' A' ' 61' ' ' HIS . 84.9 t -102.72 134.95 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 98' ' ' LEU . 33.0 m -131.24 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.28 101.3 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.95 115.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.36 -43.3 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -132.62 163.57 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -144.7 124.92 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.7 t -123.53 124.24 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -118.17 1.67 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 t70 -103.68 42.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.581 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 45.1 m95 -152.0 138.62 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.47 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 34.2 m-85 -94.03 168.46 10.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -142.52 116.08 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.38 -143.78 4.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.44 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.422 ' CZ ' ' HE3' ' A' ' 102' ' ' LYS . 3.6 p90 -157.88 164.43 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.443 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 8.1 tp -74.8 113.1 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.89 -55.05 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.443 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 16.9 pttt -55.57 -31.64 62.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -134.98 102.29 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HE3' ' CZ ' ' A' ' 97' ' ' TYR . 11.8 mtpt -84.22 29.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 24.5 mtm -107.09 -6.36 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.87 109.77 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 105' ' ' GLN . 12.8 mp0 -123.92 145.84 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.32 -144.37 7.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.4 pt -131.4 161.98 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.508 ' CG ' HD13 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -155.96 159.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 132.61 23.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.47 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.2 mtpt -63.49 -24.49 67.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -68.34 -10.86 57.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.431 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.4 m-85 -106.42 -16.16 14.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 114' ' ' HIS . 47.7 mm -100.39 137.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.462 ' N ' HG22 ' A' ' 113' ' ' ILE . 77.7 t60 -113.71 108.07 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mm -67.25 112.39 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.855 0.359 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.562 ' CE1' HG13 ' A' ' 83' ' ' VAL . 1.7 t-80 -103.4 117.86 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.58 167.6 15.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.6 t -143.08 127.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.09 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.67 128.7 37.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.488 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.4 pt -105.69 -28.34 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.488 ' CD2' HG13 ' A' ' 65' ' ' ILE . 64.8 m-85 -121.4 138.41 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -63.7 116.13 5.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 109' ' ' PRO . 40.8 t80 -104.9 141.92 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -129.0 120.93 26.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.22 -174.44 18.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -117.01 -39.89 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.17 156.88 12.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.537 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.536 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.73 151.91 0.11 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.532 0.682 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.77 -5.24 8.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.312 -0.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.84 147.24 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.6 tp -134.68 144.58 47.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.8 p -81.38 160.85 23.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.521 HD13 ' CG ' ' A' ' 108' ' ' PHE . 18.1 mt -151.2 154.54 37.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -127.05 132.81 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -44.66 124.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.84 24.89 24.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -109.78 140.61 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.562 HG13 ' CE1' ' A' ' 61' ' ' HIS . 80.6 t -105.49 113.98 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 78' ' ' LEU . 28.3 m -113.73 130.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 6.1 mmt180 -72.18 110.48 6.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.87 123.58 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -110.25 -41.01 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 89' ' ' THR . 32.1 tp10 -138.06 160.51 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 94' ' ' TYR . 96.0 m -138.94 117.94 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 19.3 p -111.69 123.98 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.75 -110.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.495 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 3.5 t0 -109.59 41.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 38.5 m95 -148.53 135.82 20.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.462 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 13.5 m-85 -94.02 154.91 17.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.59 133.59 55.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.05 -152.64 15.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 5.5 p90 -158.18 159.32 36.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.6 tp -66.9 115.48 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 29.4 mt -63.01 -55.25 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 3.8 ptmm? -49.15 -18.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 97.8 m-70 -162.36 106.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 mtmm -82.99 31.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.495 ' N ' ' SD ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -91.42 -10.61 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.899 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.04 132.95 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -136.43 160.69 38.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.83 -147.96 14.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 37.0 pt -126.06 168.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.521 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -160.46 161.49 25.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 68' ' ' PHE . 54.0 Cg_endo -69.73 135.08 29.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . 2.7 mtmp? -63.61 -36.62 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -59.36 -10.74 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.466 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.0 m-85 -101.93 -22.25 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.9 mm -94.98 132.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -104.17 101.79 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 45.2 mm -68.82 106.64 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.805 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.443 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.1 t-80 -101.11 117.79 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -118.83 169.59 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.4 t -144.08 130.0 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.488 ' CB ' ' OD2' ' A' ' 82' ' ' ASP . . . -68.44 135.99 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' ' 66' ' ' TYR . 3.7 pt -118.19 -29.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.557 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 57.3 m-85 -117.63 135.06 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -65.45 100.42 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 69' ' ' GLN . 49.2 t80 -91.09 157.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' C ' ' CD ' ' A' ' 69' ' ' GLN . 3.6 pp0? -129.18 141.47 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.84 164.65 23.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 t -114.49 -31.71 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 166.91 148.56 5.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.534 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -39.26 152.3 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.71 -3.59 7.72 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.335 -0.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -72.66 128.13 34.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 tp -121.01 141.68 50.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.8 p -79.1 163.77 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.44 HD12 ' CG ' ' A' ' 108' ' ' PHE . 18.6 mt -148.33 155.35 41.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -129.04 132.77 47.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -46.22 126.47 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.87 27.32 26.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.488 ' OD2' ' CB ' ' A' ' 64' ' ' ALA . 1.5 p30 -110.0 141.32 42.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' CG1' ' NE2' ' A' ' 61' ' ' HIS . 72.7 t -107.27 110.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.5 m -106.41 143.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 3.1 mmm180 -83.49 115.55 22.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.35 116.71 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -104.1 -35.36 8.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -143.16 170.77 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.9 m -146.02 124.64 12.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 11.6 t -120.36 130.65 54.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.86 -121.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 63.2 m-20 -97.53 42.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 67.6 m95 -151.44 144.5 24.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 16.4 m-85 -95.98 174.38 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -135.99 121.77 19.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.42 -157.09 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.509 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 2.5 p90 -155.22 176.52 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.925 0.393 . . . . 0.0 110.927 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 11.7 tp -77.35 112.73 14.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 51.0 mt -59.38 -51.67 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.461 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 15.4 ptmt -54.56 -18.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 100' ' ' LYS . 79.8 m-70 -156.65 105.53 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 26.2 mtmt -84.26 30.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 103' ' ' MET . 0.9 OUTLIER -92.69 -10.73 36.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.34 128.73 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -134.65 156.91 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.18 -142.07 7.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.6 pt -134.13 161.02 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.44 ' CG ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -152.94 161.05 30.11 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.8 Cg_endo -69.76 131.76 21.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.292 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 15.3 mtpp -62.71 -25.11 68.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.0 p -67.85 -11.29 58.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.3 m-85 -104.17 -17.06 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.56 128.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -101.4 100.89 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.48 113.25 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.415 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -103.32 121.48 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.06 166.2 20.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.444 HG22 ' CD ' ' A' ' 116' ' ' LYS . 14.5 t -142.29 132.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.1 128.19 35.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.6 pt -106.83 -13.37 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.47 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 52.1 m-85 -136.32 142.31 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 80' ' ' ILE . 24.7 m120 -70.48 101.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -89.45 154.2 20.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -134.82 126.15 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.14 172.63 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -105.39 -37.3 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 168.17 157.48 11.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.8 150.19 0.14 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.78 -4.33 8.26 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.359 0.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -68.96 143.16 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 104' ' ' LEU . 12.5 tp -132.69 139.98 47.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 p -78.25 164.17 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD13 ' CG ' ' A' ' 108' ' ' PHE . 35.9 mt -153.66 153.12 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -129.86 134.71 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.459 ' H ' ' ND2' ' A' ' 67' ' ' ASN . 61.2 mt -44.97 134.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.02 20.06 63.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.23 142.68 43.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 84' ' ' VAL . 95.9 t -107.03 140.48 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.464 ' N ' HG12 ' A' ' 83' ' ' VAL . 33.8 m -130.52 131.28 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -71.59 101.68 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.53 113.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.14 -42.5 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -137.03 173.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.409 HG22 ' CD1' ' A' ' 94' ' ' TYR . 21.3 m -146.12 115.67 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 73.7 m -114.3 129.48 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.78 -127.92 5.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.44 30.81 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.7 m95 -139.55 146.01 39.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.5 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 26.8 m-85 -93.91 176.95 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -138.81 121.84 16.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.34 -158.01 24.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.8 p90 -151.19 164.17 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.437 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.2 tp -69.76 114.67 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.8 mt -60.23 -54.68 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 14.9 ptmt -51.95 -16.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 91.9 m-70 -159.58 105.35 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 8.8 mtpm? -84.2 30.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 47.6 mmm -95.01 -10.75 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 76' ' ' LEU . 0.5 OUTLIER -133.94 113.73 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -121.97 143.3 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.02 -143.12 6.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 pt -131.26 167.43 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.367 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -159.42 161.38 27.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 110.873 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.3 Cg_endo -69.72 134.82 28.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.5 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 3.1 mtpm? -66.49 -24.89 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.8 p -67.62 -11.3 57.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.47 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 7.2 m-85 -104.2 -21.29 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.63 133.28 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -104.62 102.77 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.22 103.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' HG22 ' A' ' 63' ' ' VAL . 8.5 mtpm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.424 ' NE2' HG13 ' A' ' 83' ' ' VAL . 1.9 t-80 -92.14 127.58 37.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -135.05 170.85 22.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 t -144.29 129.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.49 127.35 32.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.484 HD11 ' CE2' ' A' ' 66' ' ' TYR . 28.1 pt -107.34 -32.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.484 ' CE2' HD11 ' A' ' 65' ' ' ILE . 25.9 m-85 -114.97 127.59 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -58.53 115.19 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -105.95 135.12 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -118.32 118.5 31.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.39 173.99 16.93 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -109.3 -43.49 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.94 152.43 10.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.03 151.91 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.76 -5.74 9.04 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.358 0.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.39 137.37 52.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 4.5 tp -127.38 142.38 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -80.34 160.88 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 108' ' ' PHE . 21.0 mt -148.93 155.56 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -129.57 134.73 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -48.43 133.84 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.42 15.67 65.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.75 130.28 55.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 84' ' ' VAL . 58.8 t -95.31 139.73 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.465 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 28.0 m -127.35 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -77.19 109.79 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 52.9 mt -80.27 128.23 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -115.98 -35.44 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' THR . 31.0 tp10 -146.24 150.94 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.499 HG23 ' CD1' ' A' ' 94' ' ' TYR . 52.6 m -133.76 122.37 23.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.83 137.34 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.3 -118.36 1.64 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.413 ' C ' ' HG3' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -111.01 40.07 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 0.0 110.83 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -145.22 137.58 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.518 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 10.6 m-85 -94.87 157.31 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' GLU . 26.0 tpt85 -120.74 134.44 55.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.09 -148.72 15.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -155.7 177.66 11.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 10.1 tp -84.79 112.94 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.423 ' CD1' HG13 ' A' ' 83' ' ' VAL . 29.9 mt -55.36 -43.73 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.461 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 ptpt -68.77 -34.51 75.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -135.02 73.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -46.55 -34.84 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.444 ' CA ' ' HE1' ' A' ' 103' ' ' MET . 0.0 OUTLIER -43.29 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 76' ' ' LEU . 1.3 mt -103.55 116.12 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -136.91 135.18 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.7 -143.49 5.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 pt -128.57 156.73 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.469 ' CB ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -152.34 160.21 31.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 112' ' ' PHE . 53.3 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 9.2 mtmt -59.96 -36.25 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 t -59.9 -10.59 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.498 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 4.0 m-85 -102.26 -24.74 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 108' ' ' PHE . 48.4 mm -94.49 130.92 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -105.27 110.24 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.8 mm -65.63 119.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.421 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -101.31 117.97 36.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.19 165.99 15.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 t -144.07 134.82 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 132.47 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.442 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 22.1 pt -111.11 -14.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.561 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 24.3 m-85 -140.17 139.97 35.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -66.69 103.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -90.3 140.56 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -129.69 110.03 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.88 -156.86 26.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.2 m -127.64 -46.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.65 158.52 22.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.525 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.16 155.08 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.76 -2.58 7.21 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.367 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.439 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 7.9 mt-30 -68.77 145.36 53.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -131.21 144.18 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.6 p -82.22 159.27 23.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 mt -145.18 154.64 42.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -129.55 132.5 46.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.5 mt -45.63 131.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.32 61.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.88 133.45 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 84' ' ' VAL . 84.1 t -99.34 135.01 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' N ' HG12 ' A' ' 83' ' ' VAL . 21.1 m -123.63 139.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.46 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 18.7 mmm-85 -80.52 102.19 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.93 116.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -101.25 -35.44 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.59 174.02 12.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.532 HG21 ' CD1' ' A' ' 94' ' ' TYR . 31.2 m -142.58 116.81 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.24 108.01 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.4 -126.45 11.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.594 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 65.7 m-20 -89.18 42.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 65.8 m95 -156.29 136.16 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.543 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 22.0 m-85 -93.49 163.4 13.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.454 ' NH1' ' HB3' ' A' ' 95' ' ' ARG . 1.4 mtp-105 -124.34 161.25 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.65 21.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.439 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 3.0 p90 -157.09 173.76 16.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 9.8 tp -78.26 115.36 17.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 53.8 mt -58.75 -44.0 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.468 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -66.9 -13.21 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -157.54 105.42 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -82.95 7.89 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.07 130.61 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.439 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 29.5 mt-30 -143.35 151.91 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 168.24 -144.63 8.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.45 ' CG2' ' HG2' ' A' ' 95' ' ' ARG . 33.5 pt -124.85 154.44 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.93 160.22 47.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.0 Cg_endo -69.78 141.98 46.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.543 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 19.4 mtpp -73.19 -20.62 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.2 m -75.41 -5.88 47.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.3 m-85 -111.25 -11.91 14.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.45 133.88 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -113.5 102.23 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.9 mm -64.7 103.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.405 ' NE2' HG12 ' A' ' 83' ' ' VAL . 2.1 t-80 -107.59 122.29 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -125.94 165.3 19.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 t -144.02 127.22 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.107 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.65 126.81 29.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.483 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.3 pt -102.88 -26.39 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.483 ' CD2' HG13 ' A' ' 65' ' ' ILE . 65.2 m-85 -125.11 132.36 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -59.56 110.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -97.32 131.33 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.58 107.24 10.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.35 -161.42 30.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.2 m -121.85 -48.79 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.69 153.48 17.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.33 154.63 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.82 -2.25 7.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.319 0.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.446 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 33.3 mt-30 -70.56 122.13 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.8 tp -109.4 142.61 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -79.84 159.76 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.521 HD13 ' CG ' ' A' ' 108' ' ' PHE . 18.0 mt -148.41 156.53 42.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -130.02 137.68 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 99.2 mt -49.17 130.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.66 56.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -112.0 140.23 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 84' ' ' VAL . 46.0 t -107.16 140.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.509 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 28.7 m -127.53 130.94 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -68.02 99.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.84 113.57 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -97.11 -42.13 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -141.02 172.5 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 m -140.77 134.16 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 m -136.14 136.62 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.02 -120.01 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.522 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 26.4 t0 -109.84 38.99 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.542 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.9 m95 -148.12 144.14 27.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.534 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 23.2 m-85 -93.98 160.22 14.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.6 111.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.94 -145.8 4.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.471 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 3.1 p90 -158.03 172.21 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.99 119.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.0 mt -61.81 -53.27 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -56.62 -32.23 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.484 ' CD2' ' HE3' ' A' ' 100' ' ' LYS . 95.2 m-70 -135.0 91.36 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 23.0 mttp -82.17 37.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 103' ' ' MET . 0.0 OUTLIER -104.7 -6.66 20.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.9 121.44 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -120.95 151.95 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.5 -141.24 5.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.3 pt -136.06 166.59 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.376 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.521 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -159.04 161.23 28.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.0 Cg_endo -69.7 127.74 15.07 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.534 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 56.0 mtpt -59.19 -31.21 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.8 m -63.31 -10.56 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.409 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.6 m-85 -103.23 -18.32 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.8 128.66 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -98.05 100.96 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 22.3 mm -69.39 100.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.877 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.415 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -93.95 119.64 33.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.51 167.73 20.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 t -141.12 130.71 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 132.67 47.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.4 pt -111.32 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -128.59 137.72 51.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -65.92 110.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -107.07 126.31 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -113.25 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.77 -179.56 49.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t -116.58 -36.03 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.86 150.01 6.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.82 153.71 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.627 0.727 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.72 -3.6 7.73 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.363 -0.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.415 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 39.2 mt-30 -70.97 127.88 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 104' ' ' LEU . 8.4 tp -117.73 138.59 51.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.4 p -77.67 165.84 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.486 HD11 ' CG ' ' A' ' 108' ' ' PHE . 17.7 mt -150.32 157.71 43.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.15 134.96 48.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -48.33 131.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.91 21.43 59.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.04 136.24 51.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.415 HG11 ' NE2' ' A' ' 61' ' ' HIS . 86.4 t -100.11 134.89 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.44 ' CG1' HD22 ' A' ' 78' ' ' LEU . 28.4 m -122.63 138.25 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.33 96.08 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 119.41 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -105.09 -40.22 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.5 149.99 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.5 m -132.9 115.28 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 5.8 t -122.82 136.75 54.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.48 -135.29 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 3.7 m-20 -96.61 41.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.423 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 65.9 m95 -151.74 143.44 23.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 19.7 m-85 -93.87 170.71 9.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.64 114.26 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.93 -145.44 5.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.44 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.453 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 p90 -157.02 164.5 37.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' HG2' ' A' ' 100' ' ' LYS . 9.2 tp -73.62 112.72 9.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 52.8 mt -53.63 -54.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.574 ' HG3' ' CD2' ' A' ' 101' ' ' HIS . 1.3 ptmm? -52.11 -35.72 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.574 ' CD2' ' HG3' ' A' ' 100' ' ' LYS . 87.8 m-70 -133.27 101.78 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -80.25 4.91 16.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 34.5 mtm -76.51 -5.85 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.414 ' CD1' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.56 137.09 39.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.402 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 15.8 mt-30 -147.29 139.0 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -179.17 -147.08 7.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.0 pt -126.22 157.35 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 111.107 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.486 ' CG ' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -148.88 161.15 33.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.8 Cg_endo -69.77 124.18 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.475 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 5.8 mtpm? -56.82 -23.86 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 m -68.88 -10.97 59.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 9.1 m-85 -105.22 -16.99 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.439 HG21 ' N ' ' A' ' 114' ' ' HIS . 48.1 mm -98.01 135.69 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . 0.439 ' N ' HG21 ' A' ' 113' ' ' ILE . 77.3 t60 -110.7 102.65 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.28 119.64 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.853 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.533 ' CE1' HG13 ' A' ' 83' ' ' VAL . 1.5 t-80 -109.45 117.78 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.97 171.99 20.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.3 t -141.24 129.02 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 121.11 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.481 HG13 ' CD2' ' A' ' 66' ' ' TYR . 25.2 pt -96.4 -29.78 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.481 ' CD2' HG13 ' A' ' 65' ' ' ILE . 55.4 m-85 -119.23 126.42 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.438 ' N ' ' CG1' ' A' ' 80' ' ' ILE . 10.3 p30 -62.43 105.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -94.7 151.13 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -146.79 111.17 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 -146.8 16.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -127.33 -49.76 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.11 157.21 22.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.65 154.05 0.15 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.718 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.77 -4.16 8.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.375 0.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.404 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 36.8 mt-30 -68.94 128.27 36.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.6 tp -113.65 140.67 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -85.1 164.47 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' A' ' 108' ' ' PHE . 18.2 mt -152.86 155.07 36.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -128.69 137.51 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.438 ' CG1' ' N ' ' A' ' 67' ' ' ASN . 69.4 mt -52.95 131.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.82 66.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.08 133.73 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.533 HG13 ' CE1' ' A' ' 61' ' ' HIS . 70.5 t -97.28 146.49 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.4 m -135.84 144.85 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.459 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 16.2 mmt85 -82.36 101.65 10.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.68 115.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -96.37 -43.55 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -137.15 170.16 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.561 HG23 ' CD1' ' A' ' 94' ' ' TYR . 25.1 m -139.57 108.72 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLY . 6.2 t -103.08 117.43 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.32 -122.45 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 10.1 m-20 -91.78 40.35 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 39.3 m95 -152.14 136.55 16.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CD1' HG23 ' A' ' 89' ' ' THR . 24.2 m-85 -95.79 161.58 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -127.31 147.66 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.04 -148.76 20.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.0 p90 -158.0 178.97 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.2 tp -85.4 129.98 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.459 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 1.7 mt -71.67 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.536 ' HE2' ' CD2' ' A' ' 101' ' ' HIS . 17.0 ptmt -49.16 -22.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.536 ' CD2' ' HE2' ' A' ' 100' ' ' LYS . 45.9 m-70 -157.93 108.22 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 31.5 mttp -85.24 43.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -100.01 -25.75 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.31 129.24 55.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -139.38 150.13 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.87 -136.67 4.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.5 pt -131.12 160.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CG ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -152.37 160.13 31.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.77 135.43 30.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.51 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 39.7 mtpt -64.68 -35.85 82.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.0 p -59.54 -10.69 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 12.4 m-85 -102.62 -23.78 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 33.7 mm -91.19 125.68 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -104.05 97.81 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.61 124.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.444 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 14.4 ttm180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.443 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.5 t-80 -100.46 124.62 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.79 169.84 20.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.6 t -144.23 126.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.447 ' CB ' ' OD1' ' A' ' 82' ' ' ASP . . . -66.04 121.97 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 pt -103.72 -32.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.541 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 52.3 m-85 -116.19 130.65 56.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -64.02 112.55 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -106.79 131.95 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -115.05 113.14 23.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -176.95 33.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -118.88 -44.31 2.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.56 149.45 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.12 150.29 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.73 -2.62 7.19 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.375 -0.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -68.46 137.41 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.6 tp -128.1 138.57 52.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 p -80.08 166.85 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 mt -151.03 154.63 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -129.08 133.45 47.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.2 mt -54.19 121.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.1 19.4 21.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.447 ' OD1' ' CB ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -109.79 148.87 30.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.452 ' CG1' HD12 ' A' ' 99' ' ' ILE . 92.9 t -112.22 112.94 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 m -108.05 133.08 54.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -71.1 111.4 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 91.0 mt -80.83 114.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -95.94 -43.81 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -140.23 174.12 10.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.506 HG22 ' CD1' ' A' ' 94' ' ' TYR . 75.3 m -144.83 115.69 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.5 m -119.46 115.56 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.52 -126.67 28.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.585 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 1.1 m-20 -96.47 37.94 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.585 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 31.0 m95 -153.47 137.23 16.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.615 ' CE2' ' CB ' ' A' ' 110' ' ' LYS . 12.4 m-85 -94.0 174.35 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -135.82 109.11 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.32 -147.66 5.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.9 p90 -157.55 161.28 38.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.457 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 20.2 tp -70.5 115.5 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.452 HD12 ' CG1' ' A' ' 83' ' ' VAL . 70.2 mt -57.46 -55.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.457 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 10.1 ptmt -52.76 -26.03 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 98' ' ' LEU . 37.7 m-70 -144.63 104.98 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -83.58 30.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.478 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 9.7 ptm -107.15 -18.33 13.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 1.1 mp -111.95 101.1 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -115.39 148.55 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.2 -141.8 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.41 164.12 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -160.74 159.9 25.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.94 3.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.615 ' CB ' ' CE2' ' A' ' 94' ' ' TYR . 17.0 ptmt -53.17 -35.0 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.5 p -57.37 -14.41 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.6 m-85 -98.65 -13.42 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.5 mm -100.52 126.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -95.16 110.52 22.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.444 ' CG2' ' HD3' ' A' ' 60' ' ' ARG . 29.2 mm -74.85 107.45 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.864 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CE1' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -90.81 121.15 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -125.77 158.0 19.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 t -139.83 127.74 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 134.81 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.4 pt -112.68 -28.52 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.413 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 41.5 m-85 -120.33 131.2 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.551 ' ND2' ' H ' ' A' ' 80' ' ' ILE . 8.8 m120 -60.1 115.0 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -108.75 138.17 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -122.98 116.84 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.46 -173.53 22.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -119.83 -48.49 2.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -175.97 153.58 15.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.97 154.15 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.69 . . . . 0.0 111.12 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.5 Cg_endo -69.8 -3.45 7.76 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.343 0.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.414 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 20.5 mt-30 -69.0 144.1 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 104' ' ' LEU . 8.2 tp -132.0 140.66 49.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -77.76 166.87 22.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 mt -155.67 152.91 29.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -128.31 132.98 48.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.551 ' H ' ' ND2' ' A' ' 67' ' ' ASN . 77.3 mt -49.44 123.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 20.89 27.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -108.96 138.95 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 61' ' ' HIS . 77.2 t -105.5 111.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.6 m -108.99 144.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -81.88 122.99 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.84 122.44 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.13 -41.87 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -133.54 151.4 51.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.5 m -134.71 112.58 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 53.8 m -126.45 139.72 53.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.16 -124.96 3.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 1.5 m-20 -108.75 45.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 52.0 m95 -154.12 137.21 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.562 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 23.0 m-85 -94.14 162.14 13.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.01 113.86 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.77 -143.23 4.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -157.95 164.72 36.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.449 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 37.8 tp -74.94 117.56 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 35.4 mt -61.14 -55.19 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.449 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -49.83 -28.22 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -149.28 105.23 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -84.07 31.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 27.8 mtp -95.81 -9.35 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -133.43 123.8 25.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -130.67 150.07 52.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.91 10.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 45.9 pt -127.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 111.15 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -159.69 161.22 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.86 9.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 5.6 mtpm? -54.56 -32.81 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -60.36 -12.69 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 6.1 m-85 -102.66 -17.37 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -99.29 128.72 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -104.24 114.62 28.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.19 117.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.476 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.5 t-160 -107.39 124.62 50.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.29 171.19 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.441 HG23 ' CG2' ' A' ' 83' ' ' VAL . 5.4 t -146.03 130.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.25 124.96 24.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 pt -104.05 -19.19 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.481 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 49.1 m-85 -132.62 128.89 38.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -58.14 107.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -101.08 127.26 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -116.71 110.44 18.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.55 -166.22 27.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -118.2 -48.45 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.77 158.3 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.25 149.52 0.18 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -7.84 10.18 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.337 -0.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.74 137.49 52.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tp -126.29 140.0 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -81.33 156.38 25.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 mt -143.99 156.65 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -128.37 139.21 52.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.4 mt -52.68 137.54 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.69 15.22 81.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.73 132.49 52.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.476 ' CG1' ' NE2' ' A' ' 61' ' ' HIS . 74.6 t -97.23 131.48 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -121.09 142.58 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -84.36 104.19 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.22 132.03 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.46 -32.22 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -146.46 145.76 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -130.56 117.41 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 69.0 m -124.94 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.33 -125.1 9.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.5 26.87 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -133.07 145.39 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 10.7 m-85 -96.6 165.14 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -133.42 110.85 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.6 -150.01 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 4.3 p90 -157.05 161.52 39.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.404 . . . . 0.0 110.918 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 8.1 tp -70.32 113.23 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 58.9 mt -55.38 -49.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.46 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 7.8 ptpp? -59.58 -22.92 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -147.51 105.08 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -83.9 2.13 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 22.5 ptp -72.26 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.64 131.96 48.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -145.08 143.24 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.63 -142.41 6.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 pt -127.6 164.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -157.73 160.96 29.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.4 Cg_endo -69.83 123.66 10.3 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.553 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.9 mtpm? -57.45 -23.46 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.0 p -71.62 -8.56 54.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.9 m-85 -105.62 -15.21 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.24 126.3 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -99.92 102.96 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.85 111.03 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CE1' HG12 ' A' ' 83' ' ' VAL . 2.0 t-80 -105.65 119.24 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -122.9 157.09 17.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 83' ' ' VAL . 19.1 t -138.83 129.01 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 130.8 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -109.1 -16.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -132.64 145.78 51.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -71.32 101.92 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -96.19 124.6 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -123.26 111.26 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.63 -143.07 13.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 m -133.94 -44.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.09 156.66 15.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.19 151.18 0.13 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.82 -3.19 7.63 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.329 0.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.4 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 28.7 mt-30 -73.67 123.94 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 104' ' ' LEU . 5.5 tp -112.67 139.61 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -77.36 164.58 25.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 108' ' ' PHE . 13.5 mt -153.38 153.35 32.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.99 136.69 49.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -47.06 132.87 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.81 15.56 65.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.97 136.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 84' ' ' VAL . 63.0 t -105.02 138.29 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.449 ' N ' HG11 ' A' ' 83' ' ' VAL . 17.6 m -129.78 142.0 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -80.06 104.57 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.6 mt -73.85 124.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.34 -36.42 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 12.9 tt0 -148.86 158.74 44.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 125.02 43.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -111.27 97.96 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.74 -124.94 37.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.472 ' OD2' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -83.9 13.16 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.472 ' NE1' ' OD2' ' A' ' 92' ' ' ASP . 10.2 m95 -128.09 155.09 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.557 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 30.7 m-85 -98.97 -178.05 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 2.7 tmm_? -143.58 110.56 5.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.28 -152.27 8.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.5 p90 -155.25 177.94 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.929 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 101' ' ' HIS . 6.5 tp -83.31 115.56 22.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.7 mt -59.66 -40.72 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -29.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 96.4 m-70 -134.96 66.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -52.82 -25.32 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 28.4 mtm -42.02 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -117.08 125.0 50.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -134.5 142.27 46.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.74 -146.1 7.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.4 pt -126.24 167.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.49 ' CG ' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -160.16 161.04 26.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 132.94 24.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.557 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 36.6 mtpt -63.38 -29.19 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -62.34 -17.63 59.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.71 -13.16 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.4 mm -99.15 128.11 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -102.69 97.97 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.59 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -134.29 134.81 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -140.48 141.98 35.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.46 -153.58 28.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -89.86 170.09 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -126.27 172.02 10.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.8 38.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 11.0 mtp-105 -131.3 44.55 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.8 tp -116.84 100.29 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.95 176.86 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -109.27 -4.0 16.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.423 ' C ' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -132.59 75.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -57.14 132.94 54.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -165.61 116.06 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -46.71 146.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -74.26 71.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 87.3 mt -99.99 138.61 20.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.651 0.739 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 53.6 Cg_endo -69.77 159.04 54.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -50.81 -40.67 56.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.5 150.48 57.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.565 ' HB3' ' CD2' ' A' ' 66' ' ' TYR . 53.4 Cg_endo -69.82 144.75 54.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.326 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 168.05 22.68 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.2 Cg_endo -69.77 110.05 2.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 86.3 mt -34.42 138.66 0.32 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.6 Cg_endo -69.76 177.35 5.66 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.377 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.5 141.99 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.33 147.29 14.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.736 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.415 ' HD3' ' CD1' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.71 157.39 60.65 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 p -57.24 173.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -42.39 106.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -43.39 151.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.23 46.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -67.71 174.81 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.2 m -156.97 121.43 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.21 -161.53 35.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.3 23.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.25 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.0 t -46.33 122.79 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 m -87.09 138.34 31.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.86 -31.25 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 2.6 pp -90.03 24.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.62 -43.01 93.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.9 -44.0 96.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -58.96 -47.64 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.25 128.43 5.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.1 m -156.97 127.61 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -72.16 157.45 37.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.92 78.44 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 p -117.2 41.91 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.1 t -94.3 142.91 26.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.74 -112.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.6 p -52.6 115.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.7 m -87.98 -56.23 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.07 -138.98 7.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.546 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 m -111.08 83.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.822 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 p -74.33 -48.19 29.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.43 84.7 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -85.68 49.2 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -124.18 80.31 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -90.64 172.23 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.457 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 18.1 ttm-85 -108.08 138.5 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.418 ' NE2' HG13 ' A' ' 83' ' ' VAL . 2.0 t-80 -95.38 118.04 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.92 169.66 16.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.451 ' CG2' ' HD2' ' A' ' 116' ' ' LYS . 14.2 t -144.86 130.5 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.05 126.44 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.405 ' C ' HG12 ' A' ' 80' ' ' ILE . 18.3 pt -105.2 -25.77 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD2' ' HB3' ' A' ' 21' ' ' PRO . 48.8 m-85 -122.97 137.33 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -67.71 111.32 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -99.5 135.65 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -119.55 111.3 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.27 -176.45 24.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -118.89 -41.61 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.94 154.63 13.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.531 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.29 153.78 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.4 Cg_endo -69.73 -2.77 7.28 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.365 0.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.426 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 43.1 mt-30 -70.81 133.38 46.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.21 140.15 52.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.2 p -78.67 156.31 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.494 HD13 ' CG ' ' A' ' 108' ' ' PHE . 24.4 mt -146.65 152.78 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -129.58 133.9 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.405 HG12 ' C ' ' A' ' 65' ' ' ILE . 88.9 mt -47.45 132.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.11 15.35 59.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -109.79 139.98 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 84' ' ' VAL . 90.5 t -105.34 137.84 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' N ' HG11 ' A' ' 83' ' ' VAL . 32.1 m -124.77 144.84 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -83.39 100.62 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.4 mt -73.49 119.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.52 -42.25 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.68 171.7 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -145.55 113.53 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.1 133.85 55.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -130.21 5.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.434 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 54.7 m-20 -100.46 35.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 41.2 m95 -145.12 141.46 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.526 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 36.2 m-85 -94.07 161.12 14.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -128.44 119.05 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.65 -145.34 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.464 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 4.1 p90 -157.97 168.61 26.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 0.0 110.937 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 10.0 tp -77.41 112.95 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 31.3 mt -55.34 -42.84 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.47 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 12.7 ptpt -68.45 -34.71 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -135.0 85.29 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -22.64 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.7 ptm -48.24 -20.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.26 125.76 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 66.6 mt-30 -134.98 152.59 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.23 10.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.54 167.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.494 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -159.53 160.82 27.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 133.46 25.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.526 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.0 mtpt -64.38 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -66.65 -13.03 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.3 m-85 -103.74 -14.57 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.0 mm -98.76 125.01 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.63 98.48 9.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.457 ' CG2' ' HD3' ' A' ' 60' ' ' ARG . 37.0 mm -67.41 111.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' HD2' ' CG2' ' A' ' 63' ' ' VAL . 27.4 mtpt -85.04 128.53 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -131.41 46.47 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.7 m -62.9 -10.44 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.18 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 33.6 t -37.15 104.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -140.2 158.1 44.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.72 179.43 36.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.5 m -101.06 82.71 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -64.5 139.2 58.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.07 -155.43 26.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.438 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 8' ' ' ARG . 3.1 ppt_? -173.8 144.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.33 114.25 12.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mp -125.34 132.61 52.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.41 -8.03 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.426 ' N ' HD23 ' A' ' 12' ' ' LEU . 4.0 mm? -87.64 38.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.87 112.64 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -165.1 105.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.8 137.15 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -117.85 91.68 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 66.1 mt -71.59 138.63 83.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 53.6 Cg_endo -69.76 174.89 8.85 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.371 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -77.89 -42.35 33.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.06 147.87 52.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.569 0.699 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.5 Cg_endo -69.72 142.9 49.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.352 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.44 21.53 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.71 18.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.284 . . . . 0.0 112.324 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.509 HG12 ' CE1' ' A' ' 112' ' ' PHE . 75.0 mt -73.82 136.43 77.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.4 ' N ' HG21 ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.82 -173.22 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -77.25 139.41 39.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.568 ' HG2' ' CH2' ' A' ' 93' ' ' TRP . 40.2 mt-10 -78.28 140.04 60.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.526 ' HD3' ' CD1' ' A' ' 93' ' ' TRP . 54.0 Cg_endo -69.68 157.16 61.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' ASN . 68.8 m -87.1 148.74 25.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' SER . 22.1 m120 -34.95 109.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 28' ' ' PRO . 46.9 m-85 -81.21 170.31 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -54.17 97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.87 163.63 15.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.6 m -149.08 125.0 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.48 172.68 28.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 112.65 3.14 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.671 2.248 . . . . 0.0 112.304 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.3 m -98.86 82.05 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.6 m 49.09 43.49 22.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.82 172.12 20.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.402 ' C ' HD13 ' A' ' 40' ' ' ILE . 2.8 pp -138.99 160.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 111.16 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -118.83 89.07 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.45 -153.82 25.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -133.24 100.39 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.03 73.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.4 t -124.12 129.83 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.377 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -167.13 170.64 11.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' SER . . . 45.41 -111.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' GLY . 29.8 p 36.75 42.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.4 t -95.41 88.07 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.75 81.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.7 p -80.36 -50.16 10.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.4 m -50.39 130.88 24.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.807 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.1 72.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -120.69 151.32 39.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -134.21 166.08 23.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.22 107.62 2.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.66 42.26 1.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? 65.19 48.04 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -48.13 149.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -111.64 152.21 27.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.464 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.9 t-80 -99.27 118.87 36.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -124.04 168.67 16.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.488 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.42 131.72 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.98 130.69 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.42 HG13 ' CD2' ' A' ' 66' ' ' TYR . 14.6 pt -107.73 -16.91 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 63.2 m-85 -136.15 140.52 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -66.42 104.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -90.46 133.0 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -128.23 107.59 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.11 -153.06 27.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -121.67 -42.79 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.13 162.21 24.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.527 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.69 151.26 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -3.81 7.92 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.357 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -69.9 140.54 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -129.52 141.49 50.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 p -77.81 162.04 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.509 HD12 ' CG ' ' A' ' 108' ' ' PHE . 19.7 mt -147.39 156.14 42.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -128.39 136.46 50.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -48.75 124.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.38 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.66 133.01 54.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' CG1' ' NE2' ' A' ' 61' ' ' HIS . 96.2 t -101.15 128.19 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.402 ' CG1' HD23 ' A' ' 78' ' ' LEU . 27.7 m -119.72 141.99 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -83.38 110.52 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.3 mt -80.33 128.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -113.26 -39.52 4.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.63 149.06 47.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.4 m -119.61 114.83 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.462 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 72.4 m -116.19 116.87 28.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.39 -132.74 4.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 5.7 t70 -88.94 43.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 52.3 m95 -156.29 136.78 13.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 44.2 m-85 -93.99 157.48 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -122.77 116.87 24.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.82 -146.04 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -157.74 163.73 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 7.3 tp -72.65 113.54 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.455 HD13 ' CG1' ' A' ' 83' ' ' VAL . 61.6 mt -60.22 -44.49 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.571 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 8.4 pttt -64.17 -10.17 21.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 100' ' ' LYS . 27.8 m-70 -162.87 107.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -84.37 28.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 33.4 mtm -103.68 -2.7 26.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.452 ' N ' HD11 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -135.02 117.01 15.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -126.19 150.58 48.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 167.91 -147.39 11.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 10.0 pt -131.86 168.22 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.509 ' CG ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -160.28 161.38 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.75 135.24 29.99 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.52 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 3.4 mtmm -63.84 -31.7 72.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.6 t -60.82 -12.64 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.509 ' CE1' HG12 ' A' ' 24' ' ' ILE . 6.2 m-85 -104.37 -19.82 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.9 mm -95.68 121.51 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -95.55 95.93 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.1 mm -65.02 115.19 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -96.21 151.99 18.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.19 83.61 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.1 t -76.89 -58.03 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 p -127.7 149.03 50.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -159.8 165.92 31.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.39 95.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -63.2 163.31 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -153.18 165.14 36.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.6 117.09 1.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -102.83 -175.14 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -165.42 134.01 3.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 1.9 mm? -98.82 176.42 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.493 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.73 109.03 0.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' ASP . 16.8 tp -35.76 -48.61 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' LEU . 37.3 mt-10 -36.21 146.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -132.79 100.12 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mm -106.84 173.73 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' CD ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -90.5 37.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.938 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.416 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 59.6 mt -110.96 136.03 20.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.698 0.761 . . . . 0.0 111.1 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 53.5 Cg_endo -69.79 149.4 66.68 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -52.43 -40.37 62.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.24 159.74 70.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 111.1 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 125.95 12.76 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.258 . . . . 0.0 112.368 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.61 37.62 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.738 2.292 . . . . 0.0 112.304 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 115.01 3.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.386 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 80.5 mt -40.45 138.45 1.21 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.575 0.703 . . . . 0.0 111.145 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.4 Cg_endo -69.78 -174.29 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.07 133.21 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -55.64 143.83 57.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.73 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.514 ' HD3' ' CG ' ' A' ' 93' ' ' TRP . 53.6 Cg_endo -69.83 147.43 62.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -130.36 168.96 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 52.83 45.21 29.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -44.98 150.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.34 -36.54 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.502 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 13.3 p90 -84.91 35.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.1 p -126.22 101.99 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.96 -175.82 44.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 0.22 5.92 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.0 t 63.48 40.88 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 p -161.3 160.02 29.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.76 -173.02 45.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.4 pt -63.4 -8.53 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -103.77 100.71 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -155.19 -119.79 0.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -86.01 86.86 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.97 131.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.7 p -38.23 -43.15 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.7 t -61.82 134.42 56.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.908 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.19 -171.2 12.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 27.2 t -122.88 155.26 37.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.829 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.8 p -173.96 157.27 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.42 -163.22 10.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 m -100.33 -51.06 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.0 p -122.82 138.13 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.79 -90.21 2.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -104.21 119.91 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.6 m -108.89 93.95 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.81 130.56 8.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.88 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 tttt 40.63 41.03 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.38 177.48 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.414 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 22.7 ttm-85 -88.87 154.2 20.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' NE2' HG12 ' A' ' 83' ' ' VAL . 1.7 t-80 -112.51 118.35 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.08 161.74 17.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.3 t -142.5 127.29 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.87 123.73 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 pt -104.96 -19.73 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.415 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 37.6 m-85 -126.29 140.19 52.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -69.34 108.85 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -103.12 135.94 43.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -134.64 117.18 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.79 -152.94 14.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 t -120.42 -47.08 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 178.03 158.04 20.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.525 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.6 152.94 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.76 -2.98 7.43 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.346 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 31.6 mt-30 -70.95 128.34 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.9 tp -114.33 138.63 50.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.6 p -77.1 160.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 108' ' ' PHE . 26.5 mt -150.55 148.44 28.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -130.12 138.91 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.3 mt -48.27 136.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.94 70.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.44 134.16 52.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 84' ' ' VAL . 85.0 t -104.71 138.98 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.464 ' N ' HG13 ' A' ' 83' ' ' VAL . 24.3 m -129.62 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -84.02 100.02 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.36 117.01 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -108.48 -38.53 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.473 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 3.0 mm-40 -127.55 164.62 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 m -145.46 115.32 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' GLY . 92.9 m -122.47 130.35 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.08 -130.97 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.429 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.553 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 57.0 m-20 -93.08 41.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.553 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 44.0 m95 -152.42 143.57 23.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.5 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 31.7 m-85 -94.08 172.65 8.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.473 ' CG ' ' HB2' ' A' ' 88' ' ' GLU . 40.5 tpt85 -144.98 109.06 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.59 -140.03 2.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 3.8 p90 -157.73 168.51 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.953 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.413 HD13 ' CG1' ' A' ' 84' ' ' VAL . 10.3 tp -78.94 116.77 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 28.6 mt -57.11 -53.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.407 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.56 -25.84 53.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.58 105.08 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -83.63 19.77 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.1 mmt -94.58 -11.77 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.453 ' N ' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -122.25 119.58 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -132.38 147.88 52.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.0 -144.02 8.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.9 pt -130.87 159.2 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.444 ' CB ' HD11 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -153.72 160.15 31.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.865 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.6 Cg_endo -69.66 130.67 19.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.388 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.5 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 6.3 mtpm? -60.14 -38.03 81.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.1 p -55.75 -15.98 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 15.7 m-85 -96.54 -25.48 15.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.2 mm -92.08 128.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -99.26 100.63 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.414 ' CG2' ' HD3' ' A' ' 60' ' ' ARG . 38.6 mm -67.15 106.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -71.64 120.48 17.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -114.4 81.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.49 -58.22 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -91.98 -51.06 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.842 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -153.55 144.03 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.77 178.12 45.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -99.92 139.61 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -93.28 153.68 18.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.24 132.31 11.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -85.05 161.02 19.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.452 HD12 ' N ' ' A' ' 10' ' ' LEU . 3.3 pp -41.25 -40.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 9' ' ' LEU . 1.5 tp -50.82 163.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.09 112.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.54 -43.52 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -71.57 105.41 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -103.29 39.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.465 ' CG2' HG13 ' A' ' 17' ' ' ILE . 11.0 mm -52.24 142.34 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.405 ' N ' HG21 ' A' ' 15' ' ' ILE . 47.0 mt-30 -89.18 44.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 74.2 mt -50.56 138.42 22.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 53.4 Cg_endo -69.81 -172.68 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.302 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -73.58 -42.36 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.15 151.2 71.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.7 Cg_endo -69.81 151.97 68.92 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.549 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 53.5 Cg_endo -69.74 161.62 45.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 120.71 7.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 92.2 mt -56.34 132.4 76.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 111.109 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 177.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -77.68 123.5 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' OE1' ' NE2' ' A' ' 75' ' ' GLN . 11.9 mt-10 -49.63 144.26 9.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 102.88 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -82.94 48.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -174.99 108.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.16 139.07 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.84 -25.35 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' SER . 30.7 p90 -94.09 -32.78 13.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' PHE . 79.1 p 35.05 53.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.32 149.05 1.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 179.84 3.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.3 t -77.34 97.25 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 p -66.31 166.27 12.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -104.79 -56.97 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.14 153.6 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 153.98 19.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.91 166.34 33.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -51.87 115.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.04 76.79 0.49 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 t -104.53 95.32 5.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -147.64 122.7 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.74 140.69 3.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.3 p -75.18 99.0 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 t -96.49 114.98 26.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 45.55 82.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.1 m -79.94 153.76 28.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.7 p -66.24 174.65 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.95 -47.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.6 m -38.61 -49.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.8 p -117.35 158.8 23.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.27 50.51 4.04 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.1 -47.42 3.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -77.74 80.97 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -87.37 148.6 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -87.51 138.97 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.413 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.6 t-80 -94.43 123.38 37.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.18 166.04 23.39 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.7 t -140.0 127.57 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 111.119 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 120.23 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 pt -97.14 -31.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.549 ' CE2' ' HD2' ' A' ' 22' ' ' PRO . 34.3 m-85 -114.83 139.64 49.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -68.85 109.88 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.88 147.9 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -136.71 126.67 25.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.85 -178.21 15.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.7 t -109.23 -37.68 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.31 160.48 21.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.13 152.01 0.23 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.68 -3.77 7.79 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.445 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 66.4 mt-30 -71.61 133.61 45.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 10.6 tp -122.25 138.51 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 154.74 31.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 25.2 mt -149.2 153.41 37.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -129.88 137.22 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.2 mt -48.36 135.07 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.08 15.6 62.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -110.35 145.39 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 84' ' ' VAL . 90.3 t -110.13 144.04 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.467 ' N ' HG12 ' A' ' 83' ' ' VAL . 32.2 m -132.5 144.73 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.408 ' NH1' HD13 ' A' ' 99' ' ' ILE . 8.2 tpp180 -83.87 98.56 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.0 117.35 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -103.33 -42.52 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -135.24 159.03 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -137.34 127.93 26.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLY . 60.4 m -127.98 140.59 51.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.08 -110.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.48 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 6.3 m-20 -118.6 44.77 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 54.8 m95 -151.01 142.83 23.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.568 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 15.9 m-85 -94.4 154.34 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.76 109.39 12.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.28 -144.95 4.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.5 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 3.5 p90 -158.03 161.17 38.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.5 tp -70.73 114.94 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.408 HD13 ' NH1' ' A' ' 85' ' ' ARG . 54.3 mt -57.25 -55.06 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -30.09 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.454 ' HB3' ' CD1' ' A' ' 104' ' ' LEU . 70.1 m-70 -135.0 90.05 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.5 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 19.8 mmtp -70.02 -0.64 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.1 mmm -80.94 4.34 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 101' ' ' HIS . 2.3 mp -136.38 116.14 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.447 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 26.9 mt-30 -130.43 149.95 51.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.81 -142.36 7.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.37 164.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.435 ' C ' ' CE3' ' A' ' 93' ' ' TRP . 1.0 OUTLIER -159.07 160.82 28.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.911 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.82 124.37 10.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.568 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 51.1 mtpt -55.14 -35.51 64.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.9 p -59.26 -11.91 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.449 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.4 m-85 -101.11 -18.66 16.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -100.41 131.02 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -100.49 107.04 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 51.8 mm -65.75 116.8 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -81.0 105.46 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -100.03 48.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.84 -50.03 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -123.55 -61.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.807 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -146.8 122.68 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -81.47 -48.37 5.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 29.0 t -35.21 -44.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 5' ' ' SER . 79.9 p -37.95 119.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.71 110.24 1.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -82.46 41.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' C ' HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -60.54 -60.58 3.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tp -125.73 123.66 39.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.2 112.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 mt -87.28 42.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -130.52 98.07 4.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -66.57 -33.76 76.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.448 HD11 ' N ' ' A' ' 15' ' ' ILE . 4.7 mp -91.77 136.94 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.441 ' N ' HG23 ' A' ' 15' ' ' ILE . 73.7 mt-30 -93.46 100.54 12.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 56.9 mt -107.61 138.64 20.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 53.7 Cg_endo -69.74 137.31 35.21 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.28 . . . . 0.0 112.351 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -46.44 -41.94 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -117.43 156.74 48.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 137.58 35.81 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 160.15 50.78 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 105.58 1.51 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.73 2.286 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 56.1 mt -39.82 138.68 1.02 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.83 179.29 3.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.347 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -82.71 112.57 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' LYS . 7.8 mt-10 -36.91 139.47 0.48 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.452 ' HD3' ' NE1' ' A' ' 93' ' ' TRP . 53.6 Cg_endo -69.8 155.3 66.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.3 p -132.15 174.56 10.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' TYR . 80.2 m-20 44.61 40.18 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' ASN . 65.3 m-85 -36.47 138.01 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.05 -55.79 19.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CD1' ' NH2' ' A' ' 95' ' ' ARG . 4.3 p90 -68.51 160.55 29.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.1 m -113.4 81.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.93 179.59 5.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -48.86 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -125.45 97.86 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 t -53.46 -43.34 68.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ILE . . . -173.48 -141.89 3.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -34.79 130.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -142.94 131.67 22.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.25 -70.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -105.48 85.86 2.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.23 -179.61 18.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 m -76.05 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -124.32 -62.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.05 102.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -131.07 149.99 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.3 p -124.32 160.16 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.18 87.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.4 m -87.11 42.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -135.39 144.8 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.06 84.91 1.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.7 p -116.84 151.41 36.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.5 p -167.57 169.11 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.16 175.27 41.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -172.9 117.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 110.816 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp 60.7 40.85 15.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -52.42 155.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -93.38 160.03 14.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.474 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.4 t-160 -120.95 117.82 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -122.35 170.62 15.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.4 ' CG2' ' HZ1' ' A' ' 116' ' ' LYS . 4.9 t -143.65 131.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 124.3 22.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 pt -106.35 -16.94 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -135.68 134.5 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -60.4 105.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -93.71 140.79 29.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -140.09 105.97 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -148.5 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.7 t -126.2 -46.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.67 157.61 19.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.534 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.81 153.58 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -2.95 7.41 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.372 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.417 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 10.2 mt-30 -71.62 128.84 37.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.93 139.23 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.9 p -78.17 163.07 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 16.5 mt -146.25 156.72 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -128.37 136.69 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.8 mt -51.41 132.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.26 11.75 68.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.61 133.44 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.474 ' CG1' ' NE2' ' A' ' 61' ' ' HIS . 62.1 t -98.73 146.07 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.6 m -134.42 143.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -82.99 103.03 12.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.7 mt -70.87 132.02 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -116.99 -33.78 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -148.99 163.2 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.512 HG22 ' CD1' ' A' ' 94' ' ' TYR . 11.0 m -140.68 122.52 15.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 27.4 t -115.48 130.7 56.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.99 -98.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 9.9 m-20 -123.17 51.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 71.7 m95 -156.74 132.88 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.512 ' CD1' HG22 ' A' ' 89' ' ' THR . 13.6 m-85 -94.32 141.84 28.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 33' ' ' PHE . 4.7 ttt180 -112.81 138.09 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.2 -147.91 12.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.52 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 4.6 p90 -156.88 162.78 39.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 10.2 tp -73.71 113.46 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 69.1 mt -53.65 -55.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.464 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 5.2 ptpt -52.38 -28.93 21.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -145.56 105.16 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.52 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 8.8 mtmm -84.33 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 103' ' ' MET . 3.0 mpp? -99.93 -7.33 25.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.85 105.82 8.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -115.82 150.82 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 165.75 -146.27 10.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 74' ' ' PRO . 37.5 pt -130.89 167.22 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -158.56 160.28 29.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.477 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.5 Cg_endo -69.78 128.74 16.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.684 2.256 . . . . 0.0 112.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.483 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 13.4 mtmt -59.42 -31.43 69.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.8 p -64.24 -8.69 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.477 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 11.8 m-85 -105.29 -18.32 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.5 mm -96.74 136.2 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -105.92 97.25 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.9 mm -69.05 104.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.4 ' HZ1' ' CG2' ' A' ' 63' ' ' VAL . 22.6 mtmt -84.03 94.15 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.61 72.59 10.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.1 m -74.85 -26.52 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -126.11 149.3 49.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.2 p 44.58 32.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.36 3.34 22.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -113.39 22.63 14.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -87.4 -56.27 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 51.75 -93.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 7' ' ' GLY . 30.1 ptt85 33.42 50.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 mt -101.49 -53.03 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD23 ' N ' ' A' ' 11' ' ' ASP . 0.9 OUTLIER -168.36 157.6 9.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.462 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -69.67 1.1 4.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -86.84 -49.05 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.38 83.98 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -115.8 -49.24 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mt -55.96 139.39 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.16 53.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 74.5 mt -102.83 138.01 19.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 54.1 Cg_endo -69.73 -165.07 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.744 2.296 . . . . 0.0 112.348 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.69 -26.02 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.45 153.69 81.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.57 0.7 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 145.61 57.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.503 ' CD ' ' CE2' ' A' ' 66' ' ' TYR . 53.9 Cg_endo -69.78 154.61 67.44 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 112.78 3.17 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 62.1 mt -55.38 138.25 67.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.738 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.78 -177.98 2.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -80.37 142.91 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.2 141.11 95.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.674 0.749 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.431 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 53.6 Cg_endo -69.8 155.47 65.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 p -68.74 175.32 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -70.9 86.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 28' ' ' PRO . 57.6 m-85 -50.85 171.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -60.01 -26.75 66.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 7.7 p90 -97.35 37.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 p -90.49 84.47 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.67 157.9 9.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.59 18.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.236 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.4 t -139.53 113.74 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.1 m -79.46 132.4 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.28 -56.19 0.92 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.0 pt -131.29 176.89 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -86.09 144.86 27.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 43' ' ' ARG . . . -77.99 -68.88 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 42' ' ' GLY . 6.9 tpp180 34.0 41.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.06 -117.21 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.4 p -70.28 140.49 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -68.9 -53.04 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.67 40.06 98.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.2 m -56.73 -50.97 70.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t 40.88 41.77 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.92 -177.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.7 m -138.8 145.74 40.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.3 p -145.26 158.14 43.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.49 80.79 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -88.38 -62.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.4 m 48.87 42.1 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.68 87.28 1.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -84.06 39.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.894 0.378 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -99.09 79.05 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -75.23 147.2 40.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 ttm-85 -91.56 154.18 19.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' NE2' HG12 ' A' ' 83' ' ' VAL . 2.0 t-80 -104.02 121.79 43.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -127.27 165.6 20.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.437 HG23 ' CE ' ' A' ' 116' ' ' LYS . 15.4 t -141.27 127.19 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.56 127.87 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 pt -110.99 -15.48 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.55 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 29.8 m-85 -128.81 135.26 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -67.33 99.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -91.44 144.6 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -135.26 116.77 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.65 -165.89 21.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 -40.77 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 175.13 153.94 10.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.85 151.08 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.2 Cg_endo -69.79 -4.46 8.35 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.372 0.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -68.91 139.14 55.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' CD1' ' HB2' ' A' ' 104' ' ' LEU . 5.2 tp -129.15 147.33 50.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.42 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 99.0 p -85.61 158.01 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.51 HD13 ' CG ' ' A' ' 108' ' ' PHE . 20.0 mt -147.61 152.05 37.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -128.54 135.25 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.8 mt -47.56 128.44 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.88 18.17 41.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -111.97 144.09 41.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 84' ' ' VAL . 83.9 t -111.17 134.5 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.419 ' N ' HG13 ' A' ' 83' ' ' VAL . 33.0 m -123.98 143.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -81.13 105.69 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.34 127.26 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -114.56 -39.79 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -140.87 155.38 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 19.0 m -127.75 105.41 8.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLY . 23.8 m -107.51 129.76 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.48 -142.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.492 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 4.7 m-20 -81.15 42.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 52.0 m95 -151.71 143.14 23.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 15.6 m-85 -96.44 164.34 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 106' ' ' GLY . 9.9 tpt85 -127.42 118.56 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 177.27 -157.42 22.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -152.37 162.49 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 19.8 tp -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 65.9 mt -56.25 -54.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.401 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 12.9 ptmt -56.3 -32.12 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -135.0 82.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.31 -3.87 9.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.9 ptp -66.26 -16.64 64.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 76' ' ' LEU . 0.5 OUTLIER -124.97 129.06 49.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -135.37 153.19 51.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 167.24 -143.61 8.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.1 pt -131.01 168.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -160.61 161.43 24.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.732 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 133.1 24.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.524 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 28.8 mtpt -63.01 -25.77 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.6 p -68.41 -11.06 59.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.55 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.8 m-85 -104.4 -17.85 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.417 HG13 ' CD1' ' A' ' 108' ' ' PHE . 51.2 mm -99.78 123.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -98.17 101.03 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.4 mm -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.437 ' CE ' HG23 ' A' ' 63' ' ' VAL . 67.0 mttt -85.49 99.48 11.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -97.09 48.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.1 m -89.66 -3.86 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -94.54 42.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -112.06 116.44 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 155.79 -48.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 68.0 m -36.27 133.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -152.27 171.92 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.91 -138.93 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 1.1 ptm85 38.28 44.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.36 122.15 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.67 135.48 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.19 112.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.3 mt -125.44 72.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -48.49 162.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -108.73 87.22 2.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 16' ' ' GLN . 4.0 mp -75.74 136.72 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.44 ' N ' HG21 ' A' ' 15' ' ' ILE . 69.9 mt-30 -82.19 96.05 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.406 HG23 ' N ' ' A' ' 18' ' ' PRO . 50.1 mt -110.22 136.24 20.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' N ' HG23 ' A' ' 17' ' ' ILE . 53.6 Cg_endo -69.77 145.16 56.24 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -57.33 -35.96 70.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.79 151.01 51.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.528 0.68 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 112.41 3.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 165.93 29.32 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -178.7 2.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.488 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 4.8 mp -109.42 137.9 20.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 111.164 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.488 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.7 178.55 4.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.389 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -67.13 114.6 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -64.59 142.45 98.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.694 0.759 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 53.8 Cg_endo -69.72 125.59 12.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -115.09 48.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -129.68 -5.34 4.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.7 OUTLIER -94.31 148.47 22.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -112.97 -51.03 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -38.79 154.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t 65.64 54.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.98 162.21 46.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 94.95 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.4 p -114.75 153.94 29.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -57.28 157.74 6.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.6 173.34 55.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 pp -108.99 18.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.319 . . . . 0.0 111.081 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -80.76 42.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.91 -154.72 47.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 54.7 40.97 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.39 -80.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.462 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.6 p -174.81 135.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.7 m -95.55 150.57 20.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.73 -122.94 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -173.28 119.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -64.05 143.9 57.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -101.88 164.74 17.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 t -108.63 82.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -51.55 158.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.28 -160.08 17.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 t -65.57 96.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.7 m -155.91 139.63 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.94 164.7 31.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -147.06 167.9 22.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -95.07 41.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -43.91 152.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -89.64 137.52 32.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.42 ' NE2' HG12 ' A' ' 83' ' ' VAL . 1.9 t-80 -94.86 118.27 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -125.0 167.27 17.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.8 t -142.76 133.71 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.59 130.07 41.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.4 pt -109.64 -15.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -138.46 141.83 39.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.25 105.69 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -98.07 121.09 39.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -124.02 109.61 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.47 -153.3 26.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -118.27 -40.53 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.97 159.28 19.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.43 151.12 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.1 Cg_endo -69.77 -3.61 7.82 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.364 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -69.25 123.12 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.4 tp -109.64 140.07 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.8 p -75.85 154.87 35.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD11 ' CG ' ' A' ' 108' ' ' PHE . 20.7 mt -146.27 154.68 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -129.98 134.49 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.6 mt -47.37 128.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.26 17.5 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.59 131.77 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 84' ' ' VAL . 48.9 t -96.75 142.08 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.474 ' N ' HG13 ' A' ' 83' ' ' VAL . 29.6 m -132.46 134.32 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.446 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 15.0 mmt180 -76.26 99.99 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.4 mt -70.8 120.01 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -104.69 -41.94 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 89' ' ' THR . 4.4 tm-20 -137.88 156.79 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 88' ' ' GLU . 40.1 m -132.13 110.03 10.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.5 p -100.75 121.3 41.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.4 -121.74 2.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 0.6 OUTLIER -96.06 37.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 35.1 m95 -146.98 150.2 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.563 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 25.2 m-85 -100.57 169.27 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.623 HH11 ' N ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -139.58 115.29 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.623 ' N ' HH11 ' A' ' 95' ' ' ARG . . . -172.6 -152.57 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 4.6 p90 -153.54 161.27 42.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.3 tp -70.41 118.93 13.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.446 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.6 mt -64.23 -48.86 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 13.3 ptpt -58.49 -14.3 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 95.0 m-70 -161.05 106.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 5.6 mmmm -75.15 1.79 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.9 mtm -76.92 1.99 16.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -135.48 130.52 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.441 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 37.6 mt-30 -147.88 148.9 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.454 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 165.91 -145.76 10.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.28 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.516 ' CG ' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -151.58 160.26 32.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.744 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.476 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.74 133.16 24.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.563 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 14.3 mtpp -63.2 -22.56 66.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.6 m -70.97 -10.0 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.476 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 16.4 m-85 -106.15 -13.6 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -100.02 134.86 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -105.89 96.29 6.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.4 mm -65.84 112.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -79.86 81.8 6.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -89.05 84.72 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.6 m -77.43 -19.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -128.49 176.15 7.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -118.55 -51.07 2.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.24 -46.42 1.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 56.25 49.3 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -72.44 176.89 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.88 89.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.24 153.53 8.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -147.74 115.19 6.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 2.3 mm? -117.51 135.06 54.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.489 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.73 108.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 12' ' ' LEU . 3.8 mm? -76.94 53.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -76.2 157.78 32.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -121.12 1.0 10.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 16' ' ' GLN . 3.0 mp -74.02 145.98 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' HG23 ' A' ' 15' ' ' ILE . 26.9 mp0 -67.4 88.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 78.7 mt -108.29 138.55 20.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 54.2 Cg_endo -69.72 -179.28 2.79 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.756 2.304 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.79 -42.18 91.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.41 149.54 17.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 125.31 11.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.59 18.62 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.356 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.3 Cg_endo -69.79 117.58 5.17 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 23' ' ' PRO . 97.7 mt -34.26 135.41 0.37 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.732 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 26' ' ' LYS . 54.1 Cg_endo -69.79 119.18 6.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -35.1 110.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -34.62 145.98 0.16 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.687 0.756 . . . . 0.0 110.912 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HD3' ' NE1' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.75 157.94 58.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.6 t -61.16 -174.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' SER . 7.4 p-10 -36.74 127.99 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 74' ' ' PRO . 15.9 m-85 -70.23 136.64 50.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -36.7 -46.38 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.12 125.81 35.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -160.38 112.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.46 145.83 17.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -33.29 17.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.74 2.293 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.9 m -90.94 -43.08 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 t -72.51 98.13 2.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.25 73.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.55 178.26 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.51 162.71 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.95 169.91 39.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -96.84 87.87 4.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.18 153.86 48.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.2 m -147.75 175.93 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 m 60.24 43.59 13.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.46 162.35 27.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -86.21 134.59 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -115.2 112.86 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.19 125.67 0.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.9 m -114.65 101.86 9.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 m -127.73 142.63 51.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -112.75 84.89 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.1 t 51.23 43.17 29.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.5 p -90.15 88.37 7.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.93 89.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -89.52 -54.39 4.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -122.27 102.13 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.99 158.47 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -103.77 142.58 34.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.434 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.8 t-80 -93.23 119.36 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -124.02 165.15 16.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.7 t -145.04 130.1 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.72 136.41 52.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.54 HG13 ' CD2' ' A' ' 66' ' ' TYR . 16.0 pt -114.11 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.54 ' CD2' HG13 ' A' ' 65' ' ' ILE . 45.8 m-85 -135.48 136.46 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.84 105.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.96 141.7 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -138.13 113.6 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.17 -151.1 17.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.79 -43.48 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.18 162.59 24.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.5 150.94 0.15 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 53.4 Cg_endo -69.77 -3.33 7.65 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.348 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -71.23 130.95 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.5 tp -117.06 137.99 51.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.0 p -77.78 151.06 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.508 HD13 ' CG ' ' A' ' 108' ' ' PHE . 14.1 mt -140.13 155.73 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -129.79 146.94 51.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.5 mt -55.02 129.11 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.65 26.68 41.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.455 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.84 132.69 54.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG1' ' NE2' ' A' ' 61' ' ' HIS . 84.9 t -102.72 134.95 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 98' ' ' LEU . 33.0 m -131.24 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.28 101.3 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.95 115.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.36 -43.3 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -132.62 163.57 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -144.7 124.92 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.7 t -123.53 124.24 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -118.17 1.67 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 t70 -103.68 42.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.581 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 45.1 m95 -152.0 138.62 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.47 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 34.2 m-85 -94.03 168.46 10.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -142.52 116.08 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.38 -143.78 4.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.44 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.422 ' CZ ' ' HE3' ' A' ' 102' ' ' LYS . 3.6 p90 -157.88 164.43 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.443 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 8.1 tp -74.8 113.1 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 53.2 mt -51.89 -55.05 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.443 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 16.9 pttt -55.57 -31.64 62.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -134.98 102.29 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HE3' ' CZ ' ' A' ' 97' ' ' TYR . 11.8 mtpt -84.22 29.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 24.5 mtm -107.09 -6.36 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.87 109.77 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' A' ' 105' ' ' GLN . 12.8 mp0 -123.92 145.84 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.32 -144.37 7.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 30.4 pt -131.4 161.98 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.508 ' CG ' HD13 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -155.96 159.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 132.61 23.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.47 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.2 mtpt -63.49 -24.49 67.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -68.34 -10.86 57.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.431 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.4 m-85 -106.42 -16.16 14.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 114' ' ' HIS . 47.7 mm -100.39 137.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.462 ' N ' HG22 ' A' ' 113' ' ' ILE . 77.7 t60 -113.71 108.07 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mm -67.25 112.39 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -63.63 146.31 54.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -158.75 106.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.19 -19.23 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -133.1 42.94 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -132.03 109.23 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.47 119.64 1.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.544 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -62.79 105.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -159.99 141.41 12.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.21 42.94 0.95 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -133.4 126.63 31.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.68 -60.1 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.32 156.02 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.24 112.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -124.23 74.74 1.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -112.58 41.68 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -67.44 -60.22 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 16' ' ' GLN . 77.4 mt -41.08 139.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.463 ' N ' HG22 ' A' ' 15' ' ' ILE . 7.6 mm100 -98.31 42.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 68.6 mt -114.56 138.26 23.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 54.0 Cg_endo -69.75 167.11 25.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.55 -36.71 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.75 147.66 42.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 119.85 6.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.38 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 168.26 22.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 114.56 3.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 62.0 mt -43.19 138.6 2.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.4 Cg_endo -69.8 179.34 3.78 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.303 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.97 108.06 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' HA ' ' CE2' ' A' ' 93' ' ' TRP . 1.2 pp20? -42.37 151.36 0.36 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.683 0.754 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 108.74 2.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.5 p -78.86 48.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -173.71 105.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.475 ' CZ ' ' HG3' ' A' ' 74' ' ' PRO . 9.3 m-85 -94.28 118.62 31.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -132.13 39.53 3.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -130.17 32.47 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.5 p -156.57 143.61 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.06 146.0 32.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 142.24 47.63 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 t -116.92 150.63 38.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -157.47 165.39 35.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.49 17.67 61.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.7 pt -127.2 175.24 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -138.95 123.75 18.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.28 176.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -65.54 149.84 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.77 71.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 m -155.3 171.63 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.844 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -158.97 136.92 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.03 -128.85 37.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t 57.17 41.63 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.2 p -174.51 154.03 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.47 -149.74 21.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.0 m -85.16 48.37 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 t -39.88 -43.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.24 141.51 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.449 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 t -165.54 147.92 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.2 p -96.33 119.59 35.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.21 81.14 1.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -73.62 80.91 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -116.28 41.83 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -72.82 165.2 25.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -106.2 149.07 27.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.562 ' CE1' HG13 ' A' ' 83' ' ' VAL . 1.7 t-80 -103.4 117.86 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.58 167.6 15.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.6 t -143.08 127.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.09 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.67 128.7 37.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.488 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.4 pt -105.69 -28.34 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.488 ' CD2' HG13 ' A' ' 65' ' ' ILE . 64.8 m-85 -121.4 138.41 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -63.7 116.13 5.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.564 ' CE2' ' HD3' ' A' ' 109' ' ' PRO . 40.8 t80 -104.9 141.92 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -129.0 120.93 26.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.22 -174.44 18.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -117.01 -39.89 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.17 156.88 12.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.537 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.536 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.73 151.91 0.11 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.532 0.682 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.77 -5.24 8.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.312 -0.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.84 147.24 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.6 tp -134.68 144.58 47.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.8 p -81.38 160.85 23.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.521 HD13 ' CG ' ' A' ' 108' ' ' PHE . 18.1 mt -151.2 154.54 37.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -127.05 132.81 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -44.66 124.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.84 24.89 24.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -109.78 140.61 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.562 HG13 ' CE1' ' A' ' 61' ' ' HIS . 80.6 t -105.49 113.98 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 78' ' ' LEU . 28.3 m -113.73 130.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.465 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 6.1 mmt180 -72.18 110.48 6.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.87 123.58 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -110.25 -41.01 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 89' ' ' THR . 32.1 tp10 -138.06 160.51 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.409 HG22 ' CE1' ' A' ' 94' ' ' TYR . 96.0 m -138.94 117.94 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 19.3 p -111.69 123.98 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.75 -110.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.495 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 3.5 t0 -109.59 41.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 38.5 m95 -148.53 135.82 20.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.462 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 13.5 m-85 -94.02 154.91 17.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.59 133.59 55.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.05 -152.64 15.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.522 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 5.5 p90 -158.18 159.32 36.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.6 tp -66.9 115.48 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.465 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 29.4 mt -63.01 -55.25 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 3.8 ptmm? -49.15 -18.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 97.8 m-70 -162.36 106.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.522 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 mtmm -82.99 31.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.495 ' N ' ' SD ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -91.42 -10.61 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.899 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.04 132.95 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -136.43 160.69 38.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.83 -147.96 14.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 37.0 pt -126.06 168.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.521 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -160.46 161.49 25.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.564 ' HD3' ' CE2' ' A' ' 68' ' ' PHE . 54.0 Cg_endo -69.73 135.08 29.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.462 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . 2.7 mtmp? -63.61 -36.62 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -59.36 -10.74 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.466 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.0 m-85 -101.93 -22.25 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.9 mm -94.98 132.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -104.17 101.79 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 45.2 mm -68.82 106.64 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -91.52 92.51 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -88.6 86.69 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.7 m -90.26 -2.3 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -97.16 120.29 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -138.58 174.95 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.56 -93.78 2.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -125.65 -54.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m 52.11 40.76 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.12 127.19 8.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -100.97 118.21 36.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -92.32 92.42 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.66 168.05 9.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.29 112.54 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 12' ' ' LEU . 9.6 mp -95.31 39.33 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -45.39 162.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 59.22 38.43 23.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -46.85 146.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -76.48 57.36 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 86.3 mt -82.24 138.46 45.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 54.2 Cg_endo -69.75 169.04 19.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -58.63 -44.23 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.83 155.34 52.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.698 . . . . 0.0 111.121 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 130.66 19.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.05 17.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.78 120.31 7.11 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 23' ' ' PRO . 89.2 mt -37.44 133.19 0.78 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.59 0.71 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 26' ' ' LYS . 53.6 Cg_endo -69.77 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.634 2.223 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 25' ' ' PRO . 2.6 tttp -32.79 135.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -94.27 141.2 23.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 125.76 12.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.3 p -87.81 167.45 13.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 31' ' ' TYR . 5.3 m-20 44.84 46.67 8.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ASN . 75.4 m-85 -35.8 126.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -118.37 -51.4 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CG ' ' N ' ' A' ' 34' ' ' SER . 4.1 p90 -39.94 -39.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.407 ' N ' ' CG ' ' A' ' 33' ' ' PHE . 22.8 t -133.14 106.24 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.93 175.11 23.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' SER . 53.7 Cg_endo -69.75 -1.09 7.87 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.376 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . 94.8 p -34.44 120.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.6 t -97.16 149.88 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.67 -59.59 5.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.9 pt -145.73 176.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -108.09 112.36 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.83 -80.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' GLY . 2.0 mpt_? -97.74 -55.84 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' ARG . . . 34.63 47.73 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.0 m -86.89 41.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 t -110.49 126.15 54.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -177.1 -93.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.546 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' GLY . 37.5 m 34.83 42.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p -71.89 143.11 49.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.57 -48.93 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.2 p -137.61 170.07 16.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -121.18 87.84 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.43 -119.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 76.3 p -114.4 133.74 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -129.83 178.31 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.01 -139.0 5.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -117.04 49.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -102.31 37.89 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' HG2' ' NH2' ' A' ' 85' ' ' ARG . 54.1 mp0 -67.66 172.73 4.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -132.48 137.48 47.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.443 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.1 t-80 -101.11 117.79 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -118.83 169.59 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.4 t -144.08 130.0 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.488 ' CB ' ' OD2' ' A' ' 82' ' ' ASP . . . -68.44 135.99 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.529 HG13 ' CD2' ' A' ' 66' ' ' TYR . 3.7 pt -118.19 -29.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.557 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 57.3 m-85 -117.63 135.06 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -65.45 100.42 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 69' ' ' GLN . 49.2 t80 -91.09 157.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' C ' ' CD ' ' A' ' 69' ' ' GLN . 3.6 pp0? -129.18 141.47 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.84 164.65 23.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 t -114.49 -31.71 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 166.91 148.56 5.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.534 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -39.26 152.3 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.71 -3.59 7.72 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.335 -0.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -72.66 128.13 34.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 tp -121.01 141.68 50.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.8 p -79.1 163.77 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.44 HD12 ' CG ' ' A' ' 108' ' ' PHE . 18.6 mt -148.33 155.35 41.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -129.04 132.77 47.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -46.22 126.47 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.87 27.32 26.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.488 ' OD2' ' CB ' ' A' ' 64' ' ' ALA . 1.5 p30 -110.0 141.32 42.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' CG1' ' NE2' ' A' ' 61' ' ' HIS . 72.7 t -107.27 110.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 25.5 m -106.41 143.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 3.1 mmm180 -83.49 115.55 22.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.35 116.71 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -104.1 -35.36 8.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -143.16 170.77 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.9 m -146.02 124.64 12.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 11.6 t -120.36 130.65 54.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.86 -121.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 63.2 m-20 -97.53 42.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.545 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 67.6 m95 -151.44 144.5 24.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 16.4 m-85 -95.98 174.38 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -135.99 121.77 19.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.42 -157.09 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.509 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 2.5 p90 -155.22 176.52 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.925 0.393 . . . . 0.0 110.927 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 11.7 tp -77.35 112.73 14.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.471 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 51.0 mt -59.38 -51.67 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.461 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 15.4 ptmt -54.56 -18.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 100' ' ' LYS . 79.8 m-70 -156.65 105.53 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.509 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 26.2 mtmt -84.26 30.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 103' ' ' MET . 0.9 OUTLIER -92.69 -10.73 36.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.34 128.73 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -134.65 156.91 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.18 -142.07 7.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.6 pt -134.13 161.02 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.44 ' CG ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -152.94 161.05 30.11 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.545 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.8 Cg_endo -69.76 131.76 21.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.292 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 15.3 mtpp -62.71 -25.11 68.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.0 p -67.85 -11.29 58.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.557 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.3 m-85 -104.17 -17.06 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.3 mm -100.56 128.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -101.4 100.89 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.48 113.25 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -82.87 135.78 34.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -122.61 74.69 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.0 m -69.27 -18.94 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -66.1 157.5 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -146.12 172.5 13.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.08 106.8 3.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -92.77 109.39 20.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -126.49 42.71 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.4 -175.49 54.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 61.17 43.37 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mp -103.7 40.2 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 6.1 tp -89.25 113.04 24.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.71 109.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.11 64.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -130.39 37.64 3.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -111.39 -46.42 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 16' ' ' GLN . 5.3 mp -89.97 138.93 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.414 ' N ' HG21 ' A' ' 15' ' ' ILE . 37.2 mt-30 -122.12 46.19 2.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 85.7 mt -102.51 138.26 19.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 54.0 Cg_endo -69.71 158.53 56.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -35.04 76.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.65 150.01 63.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.565 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.2 Cg_endo -69.82 129.49 17.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 165.25 31.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 114.14 3.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.264 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.1 mt -43.02 129.81 3.25 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.465 ' O ' ' C ' ' A' ' 26' ' ' LYS . 53.6 Cg_endo -69.79 119.85 6.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.635 2.224 . . . . 0.0 112.355 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 25' ' ' PRO . 0.1 OUTLIER -32.8 100.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' OE2' ' NE2' ' A' ' 75' ' ' GLN . 2.3 pt-20 -44.4 143.36 2.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.66 0.743 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.51 65.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -59.84 145.77 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -41.22 99.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -53.26 169.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -90.21 81.46 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -97.67 -65.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 m -77.15 47.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.94 -173.01 40.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 166.56 27.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.8 m -122.44 91.77 3.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.7 t -161.3 133.56 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.94 102.15 2.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.94 109.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -164.92 149.43 9.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.43 132.17 0.33 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -73.79 122.04 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.11 -142.74 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.0 p -108.49 136.39 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -70.78 -51.64 25.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -170.04 -141.92 3.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.5 m -100.36 174.82 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -151.38 135.05 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.98 157.24 51.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 m -153.44 130.76 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.6 p -104.68 109.99 22.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.42 -159.43 9.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.0 p -109.02 112.79 25.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.922 0.392 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.2 p -63.81 126.48 27.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.69 161.69 0.86 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -113.39 -60.62 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.34 84.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.1 156.49 31.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -95.89 151.41 19.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -103.32 121.48 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.06 166.2 20.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.444 HG22 ' CD ' ' A' ' 116' ' ' LYS . 14.5 t -142.29 132.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.1 128.19 35.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.6 pt -106.83 -13.37 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.565 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 52.1 m-85 -136.32 142.31 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' ND2' ' H ' ' A' ' 80' ' ' ILE . 24.7 m120 -70.48 101.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -89.45 154.2 20.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -134.82 126.15 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.14 172.63 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -105.39 -37.3 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 168.17 157.48 11.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.524 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.8 150.19 0.14 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.78 -4.33 8.26 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.359 0.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.489 ' NE2' ' OE2' ' A' ' 27' ' ' GLU . 47.9 mt-30 -68.96 143.16 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 104' ' ' LEU . 12.5 tp -132.69 139.98 47.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 p -78.25 164.17 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.51 HD13 ' CG ' ' A' ' 108' ' ' PHE . 35.9 mt -153.66 153.12 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -129.86 134.71 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.459 ' H ' ' ND2' ' A' ' 67' ' ' ASN . 61.2 mt -44.97 134.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.02 20.06 63.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.23 142.68 43.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 84' ' ' VAL . 95.9 t -107.03 140.48 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.464 ' N ' HG12 ' A' ' 83' ' ' VAL . 33.8 m -130.52 131.28 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -71.59 101.68 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.53 113.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.14 -42.5 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -137.03 173.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.409 HG22 ' CD1' ' A' ' 94' ' ' TYR . 21.3 m -146.12 115.67 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 73.7 m -114.3 129.48 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.78 -127.92 5.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.44 30.81 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.7 m95 -139.55 146.01 39.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.5 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 26.8 m-85 -93.91 176.95 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -138.81 121.84 16.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.34 -158.01 24.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.566 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.8 p90 -151.19 164.17 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.437 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.2 tp -69.76 114.67 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.8 mt -60.23 -54.68 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 14.9 ptmt -51.95 -16.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 91.9 m-70 -159.58 105.35 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 8.8 mtpm? -84.2 30.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 47.6 mmm -95.01 -10.75 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 76' ' ' LEU . 0.5 OUTLIER -133.94 113.73 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -121.97 143.3 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.02 -143.12 6.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 pt -131.26 167.43 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.367 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -159.42 161.38 27.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 110.873 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.3 Cg_endo -69.72 134.82 28.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.5 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 3.1 mtpm? -66.49 -24.89 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.8 p -67.62 -11.3 57.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.47 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 7.2 m-85 -104.2 -21.29 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.63 133.28 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -104.62 102.77 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.22 103.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' CD ' HG22 ' A' ' 63' ' ' VAL . 8.5 mtpm? -91.72 87.42 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -97.88 50.85 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.6 t -75.05 -60.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -163.01 154.16 17.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -120.08 -39.64 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.61 177.9 36.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.1 m -96.39 82.77 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 5' ' ' SER . 28.5 m -35.32 -50.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.72 169.68 33.26 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -40.8 150.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 tp -144.06 121.71 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.499 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 0.1 OUTLIER -111.39 178.39 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.499 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.76 108.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -77.72 -51.68 10.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 67.16 45.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -104.32 -32.64 8.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 mp -115.72 165.64 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -81.87 43.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 82.5 mt -107.71 138.25 19.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 53.5 Cg_endo -69.78 168.58 21.18 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.34 -37.73 74.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.98 148.42 54.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.39 50.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.07 17.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ILE . 54.5 Cg_endo -69.76 108.25 2.04 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 68.6 mt -34.68 138.7 0.33 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.78 119.34 6.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -35.1 138.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -44.78 142.49 2.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 150.22 67.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.311 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 t -62.42 -177.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' TYR . 38.0 p-10 -38.96 99.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' ASN . 24.2 m-85 -37.75 139.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.02 -48.5 73.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -83.03 87.48 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -90.92 -59.58 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.39 156.36 8.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -46.1 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t -173.24 108.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.0 m -130.14 164.89 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -145.37 100.98 0.23 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.3 pt -80.61 -8.5 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 56.24 44.17 25.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.31 -127.73 38.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -89.3 144.74 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 172.74 -107.82 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -147.89 157.22 43.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.6 p -109.15 155.08 21.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.19 -123.7 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 p 39.87 45.95 1.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.378 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.1 m -60.15 151.92 25.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.92 -43.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -58.26 118.63 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.7 p -80.03 174.06 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.59 -117.1 2.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t 64.03 41.38 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.2 p -84.03 -54.49 4.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.25 154.21 10.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.58 43.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -115.01 77.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -110.46 156.61 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -118.88 144.36 46.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' NE2' HG13 ' A' ' 83' ' ' VAL . 1.9 t-80 -92.14 127.58 37.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -135.05 170.85 22.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 t -144.29 129.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.12 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.49 127.35 32.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.484 HD11 ' CE2' ' A' ' 66' ' ' TYR . 28.1 pt -107.34 -32.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.484 ' CE2' HD11 ' A' ' 65' ' ' ILE . 25.9 m-85 -114.97 127.59 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -58.53 115.19 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -105.95 135.12 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -118.32 118.5 31.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.39 173.99 16.93 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -109.3 -43.49 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.94 152.43 10.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.03 151.91 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.76 -5.74 9.04 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.358 0.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.39 137.37 52.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 4.5 tp -127.38 142.38 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -80.34 160.88 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 108' ' ' PHE . 21.0 mt -148.93 155.56 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -129.57 134.73 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -48.43 133.84 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.42 15.67 65.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.75 130.28 55.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 84' ' ' VAL . 58.8 t -95.31 139.73 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.465 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 28.0 m -127.35 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -77.19 109.79 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 52.9 mt -80.27 128.23 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -115.98 -35.44 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 89' ' ' THR . 31.0 tp10 -146.24 150.94 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.499 HG23 ' CD1' ' A' ' 94' ' ' TYR . 52.6 m -133.76 122.37 23.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.83 137.34 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.3 -118.36 1.64 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' C ' ' HG3' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -111.01 40.07 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 0.0 110.83 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -145.22 137.58 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.518 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 10.6 m-85 -94.87 157.31 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' GLU . 26.0 tpt85 -120.74 134.44 55.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.09 -148.72 15.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -155.7 177.66 11.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 10.1 tp -84.79 112.94 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.423 ' CD1' HG13 ' A' ' 83' ' ' VAL . 29.9 mt -55.36 -43.73 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.461 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 ptpt -68.77 -34.51 75.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -135.02 73.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -46.55 -34.84 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.444 ' CA ' ' HE1' ' A' ' 103' ' ' MET . 0.0 OUTLIER -43.29 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 76' ' ' LEU . 1.3 mt -103.55 116.12 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -136.91 135.18 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.7 -143.49 5.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 pt -128.57 156.73 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.469 ' CB ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -152.34 160.21 31.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.498 ' HG2' ' CG ' ' A' ' 112' ' ' PHE . 53.3 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.518 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 9.2 mtmt -59.96 -36.25 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 t -59.9 -10.59 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.498 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 4.0 m-85 -102.26 -24.74 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.438 HG13 ' CD1' ' A' ' 108' ' ' PHE . 48.4 mm -94.49 130.92 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -105.27 110.24 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.8 mm -65.63 119.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.23 44.56 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -77.01 61.27 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.7 m -87.84 -8.13 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -140.01 150.14 44.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -78.55 175.07 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.66 80.38 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -174.58 153.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m -129.42 89.41 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.57 152.08 0.82 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -106.72 34.25 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -112.61 45.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.03 172.57 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.5 t70 -82.67 -75.67 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' ASP . 1.9 tt 36.28 52.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -100.51 42.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -119.8 -61.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 16' ' ' GLN . 11.0 mt -75.15 146.08 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' HG22 ' A' ' 15' ' ' ILE . 2.7 pm0 -126.36 53.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 81.7 mt -106.25 138.66 19.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.616 0.722 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 53.9 Cg_endo -69.73 -175.48 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.362 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -78.21 -44.02 26.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.436 ' CB ' ' HD2' ' A' ' 21' ' ' PRO . . . -130.79 167.81 19.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.53 0.681 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.79 127.08 14.06 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 168.22 22.16 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.23 18.94 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 48.8 mt -65.35 138.57 97.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.9 Cg_endo -69.74 177.19 5.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -84.97 134.04 34.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' LYS . 49.3 mt-10 -34.77 150.35 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.4 65.17 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.1 p -55.61 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -41.78 136.94 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -81.79 140.83 33.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -73.55 -60.03 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -53.53 115.82 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -120.86 121.44 38.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.59 147.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -28.03 25.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.62 2.213 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' SER . 39.1 m -149.55 152.06 34.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.5 m -37.32 -43.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.38 133.4 11.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.7 pp -135.44 147.15 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.89 -43.79 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.36 -137.56 2.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -62.89 -55.57 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.77 132.08 2.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.2 p -91.65 55.61 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.0 t 43.09 42.94 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.16 123.06 3.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.0 t -88.06 -52.95 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -98.42 162.6 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.78 47.54 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.0 p -164.57 114.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -159.77 141.29 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.01 -42.77 1.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -74.95 109.42 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -160.0 121.61 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.11 67.03 2.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -132.15 132.19 42.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -62.65 95.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -104.68 -179.67 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -93.87 138.42 32.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.421 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -101.31 117.97 36.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.19 165.99 15.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 5.8 t -144.07 134.82 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 132.47 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.442 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 22.1 pt -111.11 -14.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.561 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 24.3 m-85 -140.17 139.97 35.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -66.69 103.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -90.3 140.56 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -129.69 110.03 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.88 -156.86 26.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.2 m -127.64 -46.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.65 158.52 22.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.525 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.16 155.08 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.76 -2.58 7.21 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.367 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.439 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 7.9 mt-30 -68.77 145.36 53.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -131.21 144.18 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.6 p -82.22 159.27 23.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.1 mt -145.18 154.64 42.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -129.55 132.5 46.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.5 mt -45.63 131.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.32 61.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.88 133.45 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 84' ' ' VAL . 84.1 t -99.34 135.01 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' N ' HG12 ' A' ' 83' ' ' VAL . 21.1 m -123.63 139.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 18.7 mmm-85 -80.52 102.19 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.93 116.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -101.25 -35.44 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.59 174.02 12.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.532 HG21 ' CD1' ' A' ' 94' ' ' TYR . 31.2 m -142.58 116.81 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.24 108.01 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.4 -126.45 11.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.594 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 65.7 m-20 -89.18 42.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 65.8 m95 -156.29 136.16 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.543 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 22.0 m-85 -93.49 163.4 13.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 95' ' ' ARG . 1.4 mtp-105 -124.34 161.25 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.65 21.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.439 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 3.0 p90 -157.09 173.76 16.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 9.8 tp -78.26 115.36 17.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.46 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 53.8 mt -58.75 -44.0 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.468 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -66.9 -13.21 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -157.54 105.42 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -82.95 7.89 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.07 130.61 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.439 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 29.5 mt-30 -143.35 151.91 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 168.24 -144.63 8.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.45 ' CG2' ' HG2' ' A' ' 95' ' ' ARG . 33.5 pt -124.85 154.44 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.93 160.22 47.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.461 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.0 Cg_endo -69.78 141.98 46.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.543 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 19.4 mtpp -73.19 -20.62 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.2 m -75.41 -5.88 47.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.561 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.3 m-85 -111.25 -11.91 14.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.45 133.88 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -113.5 102.23 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 21.9 mm -64.7 103.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -54.76 128.22 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -122.48 88.08 2.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.3 m -87.65 -25.88 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 84.9 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -119.25 177.86 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -125.63 155.57 40.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.04 -46.24 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -83.25 -50.35 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 p -40.48 154.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.61 112.23 2.23 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.408 ' HB2' ' NH1' ' A' ' 8' ' ' ARG . 2.4 ptm85 -93.28 163.1 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.1 mp -144.29 121.36 11.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.2 mm? -85.88 36.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.38 112.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD11 ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -82.45 38.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -101.05 46.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -119.22 -56.32 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.468 ' CG2' HG13 ' A' ' 17' ' ' ILE . 47.0 mm -88.82 138.99 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -94.32 36.91 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 88.1 mt -105.05 138.6 19.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.742 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 53.5 Cg_endo -69.77 177.89 5.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -87.86 -42.65 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -111.46 160.01 30.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 53.8 Cg_endo -69.81 110.4 2.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.79 161.02 47.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 113.66 3.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 59.6 mt -41.47 138.55 1.58 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.719 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.72 177.18 5.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.335 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -62.2 145.04 54.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -85.12 144.31 41.05 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 94.11 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 m -79.42 48.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -175.1 104.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 74' ' ' PRO . 22.2 m-85 -94.01 157.88 15.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.14 -34.68 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' SER . 9.5 m-85 -38.65 -52.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' PHE . 89.5 p 34.73 52.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.97 -159.92 19.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -2.29 9.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.3 m -40.62 -42.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -47.85 150.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.69 -71.29 0.96 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 pt -129.67 -178.74 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.15 173.02 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.78 -97.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -84.88 40.35 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.1 150.54 16.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.3 t -111.96 139.83 47.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -157.97 156.74 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.53 94.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -122.48 171.22 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -132.04 170.47 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.6 76.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 m -76.46 125.89 30.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -155.54 106.71 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.07 92.71 0.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -166.94 177.97 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.3 m -143.71 143.86 31.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.86 73.08 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -131.15 125.78 33.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.31 90.48 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -91.03 178.16 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -93.38 150.73 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.405 ' NE2' HG12 ' A' ' 83' ' ' VAL . 2.1 t-80 -107.59 122.29 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -125.94 165.3 19.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.5 t -144.02 127.22 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.107 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.65 126.81 29.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.483 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.3 pt -102.88 -26.39 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.483 ' CD2' HG13 ' A' ' 65' ' ' ILE . 65.2 m-85 -125.11 132.36 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -59.56 110.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -97.32 131.33 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.58 107.24 10.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.35 -161.42 30.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.2 m -121.85 -48.79 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.69 153.48 17.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.515 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.33 154.63 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.82 -2.25 7.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.319 0.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.446 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 33.3 mt-30 -70.56 122.13 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.8 tp -109.4 142.61 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -79.84 159.76 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.521 HD13 ' CG ' ' A' ' 108' ' ' PHE . 18.0 mt -148.41 156.53 42.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -130.02 137.68 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 99.2 mt -49.17 130.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.66 56.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -112.0 140.23 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 84' ' ' VAL . 46.0 t -107.16 140.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.509 HG22 ' CZ ' ' A' ' 108' ' ' PHE . 28.7 m -127.53 130.94 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -68.02 99.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.84 113.57 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -97.11 -42.13 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -141.02 172.5 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 m -140.77 134.16 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 m -136.14 136.62 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.02 -120.01 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.522 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 26.4 t0 -109.84 38.99 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.542 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.9 m95 -148.12 144.14 27.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.534 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 23.2 m-85 -93.98 160.22 14.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.6 111.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.94 -145.8 4.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.471 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 3.1 p90 -158.03 172.21 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.8 tp -77.99 119.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.0 mt -61.81 -53.27 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.484 ' HE3' ' CD2' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -56.62 -32.23 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.484 ' CD2' ' HE3' ' A' ' 100' ' ' LYS . 95.2 m-70 -135.0 91.36 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.471 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 23.0 mttp -82.17 37.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 103' ' ' MET . 0.0 OUTLIER -104.7 -6.66 20.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.9 121.44 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -120.95 151.95 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.5 -141.24 5.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 31.3 pt -136.06 166.59 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.376 . . . . 0.0 111.131 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.521 ' CG ' HD13 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -159.04 161.23 28.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.0 Cg_endo -69.7 127.74 15.07 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.534 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 56.0 mtpt -59.19 -31.21 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.8 m -63.31 -10.56 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.409 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.6 m-85 -103.23 -18.32 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.8 128.66 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -98.05 100.96 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 22.3 mm -69.39 100.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -66.44 81.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -113.06 50.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 119' ' ' THR . 18.3 m -68.28 -35.66 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 118' ' ' VAL . 11.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -130.89 168.45 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 4' ' ' GLY . 56.7 m -111.64 169.06 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.35 142.73 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -88.38 33.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -109.72 -47.76 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 36.89 83.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.51 11.01 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 mt -76.02 -33.39 59.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.588 ' CD1' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -146.85 165.6 29.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.976 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.36 -75.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mt -121.64 41.71 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.8 102.87 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -42.68 -46.61 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 16' ' ' GLN . 5.3 mp -71.25 140.31 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.438 ' N ' HG22 ' A' ' 15' ' ' ILE . 4.3 pt20 -118.36 76.37 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 83.5 mt -52.48 138.53 39.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 54.2 Cg_endo -69.78 174.32 9.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -77.63 -38.69 47.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.89 150.76 59.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.611 0.72 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 131.38 21.1 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 168.61 20.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.374 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.02 2.45 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 61.1 mt -44.47 138.38 3.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 0.0 111.19 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.72 -178.93 2.56 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -89.53 134.01 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' HG2' ' NE2' ' A' ' 75' ' ' GLN . 12.1 mp0 -67.61 139.46 94.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 53.2 Cg_endo -69.79 121.5 8.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.305 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 t -81.32 155.01 26.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 64.73 49.04 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 2.6 m-85 -117.82 35.94 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -76.94 73.87 3.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 1.5 p90 -128.24 37.98 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 t -111.66 -57.91 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.79 -164.8 11.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.23 27.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -105.11 146.65 28.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -162.37 144.92 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.0 161.28 24.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.416 ' CD1' ' C ' ' A' ' 40' ' ' ILE . 2.0 pp -80.44 -5.99 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -90.75 44.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.69 142.8 8.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -50.85 -47.81 60.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.46 -131.83 2.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -120.43 164.4 16.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -112.66 -44.8 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.77 -129.3 6.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -147.85 172.96 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 t -169.61 163.01 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -165.06 173.9 40.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.9 m -136.36 170.78 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -133.46 171.71 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.88 -170.59 15.37 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -164.97 151.41 10.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -144.49 148.39 34.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . . . -80.39 52.8 4.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' GLY . 3.8 m-20 36.75 41.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -127.78 85.96 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -108.04 154.1 22.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -110.82 138.3 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.415 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -93.95 119.64 33.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.51 167.73 20.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 10.8 t -141.12 130.71 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 132.67 47.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.4 pt -111.32 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -128.59 137.72 51.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -65.92 110.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -107.07 126.31 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -113.25 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.77 -179.56 49.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t -116.58 -36.03 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.86 150.01 6.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.82 153.71 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.627 0.727 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.72 -3.6 7.73 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.363 -0.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.417 ' NE2' ' HG2' ' A' ' 27' ' ' GLU . 39.2 mt-30 -70.97 127.88 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.414 HD12 ' CD1' ' A' ' 104' ' ' LEU . 8.4 tp -117.73 138.59 51.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.4 p -77.67 165.84 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.486 HD11 ' CG ' ' A' ' 108' ' ' PHE . 17.7 mt -150.32 157.71 43.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.15 134.96 48.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -48.33 131.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.91 21.43 59.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.04 136.24 51.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.415 HG11 ' NE2' ' A' ' 61' ' ' HIS . 86.4 t -100.11 134.89 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.44 ' CG1' HD22 ' A' ' 78' ' ' LEU . 28.4 m -122.63 138.25 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.33 96.08 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 119.41 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -105.09 -40.22 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.5 149.99 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.5 m -132.9 115.28 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 5.8 t -122.82 136.75 54.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.48 -135.29 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.423 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 3.7 m-20 -96.61 41.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.423 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 65.9 m95 -151.74 143.44 23.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 19.7 m-85 -93.87 170.71 9.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.64 114.26 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.93 -145.44 5.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.44 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.453 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 p90 -157.02 164.5 37.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HG ' ' HG2' ' A' ' 100' ' ' LYS . 9.2 tp -73.62 112.72 9.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 52.8 mt -53.63 -54.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.574 ' HG3' ' CD2' ' A' ' 101' ' ' HIS . 1.3 ptmm? -52.11 -35.72 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.574 ' CD2' ' HG3' ' A' ' 100' ' ' LYS . 87.8 m-70 -133.27 101.78 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.453 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -80.25 4.91 16.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 34.5 mtm -76.51 -5.85 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.414 ' CD1' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.56 137.09 39.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.402 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 15.8 mt-30 -147.29 139.0 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -179.17 -147.08 7.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.0 pt -126.22 157.35 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 111.107 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.486 ' CG ' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -148.88 161.15 33.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.8 Cg_endo -69.77 124.18 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.475 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 5.8 mtpm? -56.82 -23.86 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 m -68.88 -10.97 59.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 9.1 m-85 -105.22 -16.99 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.439 HG21 ' N ' ' A' ' 114' ' ' HIS . 48.1 mm -98.01 135.69 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.439 ' N ' HG21 ' A' ' 113' ' ' ILE . 77.3 t60 -110.7 102.65 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.28 119.64 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 117' ' ' GLU . 15.2 mtpp -86.1 12.21 10.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 116' ' ' LYS . 5.3 tp10 33.5 50.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.7 p -96.34 -43.28 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m 59.94 41.93 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m -92.8 -50.79 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.06 -109.51 3.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -103.93 165.65 10.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -65.64 146.13 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.36 118.35 8.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -143.09 136.26 28.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 tp -76.11 90.29 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -40.63 143.95 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -84.95 -4.77 59.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.8 mp -120.71 71.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -108.88 126.79 53.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -167.58 117.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.22 141.4 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -102.9 90.26 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 78.6 mt -77.2 138.12 64.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 0.0 111.149 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 53.3 Cg_endo -69.75 158.55 56.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.264 . . . . 0.0 112.318 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -64.55 -40.94 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.83 152.3 59.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.578 0.704 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.16 52.92 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.88 17.82 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.4 Cg_endo -69.77 105.92 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 84.3 mt -37.23 138.53 0.56 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.79 119.35 6.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.236 . . . . 0.0 112.351 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 1.1 tmtt? -42.72 118.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 34.5 mt-10 -35.55 142.52 0.28 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.613 0.72 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 107.37 1.85 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.299 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 m -84.15 48.04 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -175.14 106.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -95.39 125.0 39.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.75 -36.78 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.685 ' CD1' ' N ' ' A' ' 34' ' ' SER . 37.7 p90 -92.45 -52.53 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.685 ' N ' ' CD1' ' A' ' 33' ' ' PHE . 2.0 t -61.35 95.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.41 146.03 16.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 110.5 2.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.288 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.6 p -49.03 -46.71 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -74.3 140.52 44.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.42 141.33 4.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.5 pt -95.01 34.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.32 . . . . 0.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -117.17 -47.38 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.34 44.12 1.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.438 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -38.97 -58.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.55 -149.55 20.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.532 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -120.87 132.93 55.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 t -90.39 143.65 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -130.24 152.91 19.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -111.21 -53.8 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.8 t -110.42 137.85 47.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.85 64.74 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.4 m -128.7 91.13 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.3 t -159.84 165.37 32.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.78 64.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -129.77 96.07 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.2 p -72.64 141.48 48.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.0 90.45 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.43 113.39 16.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -130.51 41.48 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -47.43 172.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -125.43 158.1 35.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.533 ' CE1' HG13 ' A' ' 83' ' ' VAL . 1.5 t-80 -109.45 117.78 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.97 171.99 20.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 11.3 t -141.24 129.02 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.163 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 121.11 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.481 HG13 ' CD2' ' A' ' 66' ' ' TYR . 25.2 pt -96.4 -29.78 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.481 ' CD2' HG13 ' A' ' 65' ' ' ILE . 55.4 m-85 -119.23 126.42 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.438 ' N ' ' CG1' ' A' ' 80' ' ' ILE . 10.3 p30 -62.43 105.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -94.7 151.13 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -146.79 111.17 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 -146.8 16.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -127.33 -49.76 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.11 157.21 22.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.526 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.65 154.05 0.15 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.718 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.77 -4.16 8.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.375 0.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.404 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 36.8 mt-30 -68.94 128.27 36.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 16.6 tp -113.65 140.67 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -85.1 164.47 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' A' ' 108' ' ' PHE . 18.2 mt -152.86 155.07 36.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -128.69 137.51 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.438 ' CG1' ' N ' ' A' ' 67' ' ' ASN . 69.4 mt -52.95 131.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.82 66.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.08 133.73 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.533 HG13 ' CE1' ' A' ' 61' ' ' HIS . 70.5 t -97.28 146.49 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 18.4 m -135.84 144.85 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.459 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 16.2 mmt85 -82.36 101.65 10.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.2 mt -70.68 115.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -96.37 -43.55 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -137.15 170.16 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.561 HG23 ' CD1' ' A' ' 94' ' ' TYR . 25.1 m -139.57 108.72 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLY . 6.2 t -103.08 117.43 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.32 -122.45 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 10.1 m-20 -91.78 40.35 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 39.3 m95 -152.14 136.55 16.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CD1' HG23 ' A' ' 89' ' ' THR . 24.2 m-85 -95.79 161.58 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -127.31 147.66 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.04 -148.76 20.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.561 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.0 p90 -158.0 178.97 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.2 tp -85.4 129.98 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.459 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 1.7 mt -71.67 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.536 ' HE2' ' CD2' ' A' ' 101' ' ' HIS . 17.0 ptmt -49.16 -22.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.536 ' CD2' ' HE2' ' A' ' 100' ' ' LYS . 45.9 m-70 -157.93 108.22 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 31.5 mttp -85.24 43.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -100.01 -25.75 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.31 129.24 55.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -139.38 150.13 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.87 -136.67 4.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.5 pt -131.12 160.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.413 ' CG ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -152.37 160.13 31.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.77 135.43 30.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.51 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 39.7 mtpt -64.68 -35.85 82.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.0 p -59.54 -10.69 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.478 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 12.4 m-85 -102.62 -23.78 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 33.7 mm -91.19 125.68 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -104.05 97.81 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.61 124.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 117' ' ' GLU . 7.6 mtpm? -82.93 37.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 116' ' ' LYS . 35.4 tt0 33.86 48.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.463 HG22 ' CB ' ' A' ' 61' ' ' HIS . 29.9 m -81.74 -32.2 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -129.36 -55.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -95.24 148.77 22.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.74 -91.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -40.99 -52.21 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -43.71 147.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -169.21 -80.19 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.1 ptp180 38.11 38.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' O ' ' CD2' ' A' ' 9' ' ' LEU . 2.4 tt -76.71 -0.16 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 23.2 tp -70.1 -9.55 55.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.488 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.28 109.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -104.63 35.1 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -88.35 38.97 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 51.47 41.17 28.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.7 mm -106.0 143.18 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -109.34 35.8 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 18' ' ' PRO . 80.4 mt -101.79 135.65 19.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.402 ' N ' HG21 ' A' ' 17' ' ' ILE . 53.8 Cg_endo -69.78 179.06 3.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.242 . . . . 0.0 112.329 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -74.08 -44.67 53.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.26 158.98 74.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.618 0.723 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.55 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.2 Cg_endo -69.81 137.17 34.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.24 57.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.77 110.59 2.59 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.46 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 86.9 mt -34.69 138.69 0.33 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.735 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.505 ' HG2' ' CE2' ' A' ' 93' ' ' TRP . 53.6 Cg_endo -69.77 -178.83 2.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -90.09 131.91 35.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 70.4 mt-10 -52.78 121.59 23.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.558 ' HD3' ' CD1' ' A' ' 93' ' ' TRP . 54.0 Cg_endo -69.73 128.45 16.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -104.17 176.78 5.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 53.95 40.34 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 28' ' ' PRO . 24.0 m-85 -40.66 150.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -82.39 -59.9 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -62.37 124.24 20.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.9 p -156.88 137.55 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.49 -158.83 27.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 2.34 3.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.4 p -45.92 -26.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -49.27 123.73 7.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.92 62.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.0 pt -144.42 176.1 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 111.091 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -111.59 -47.44 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.3 52.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -108.79 153.44 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.4 106.2 2.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.6 m -141.64 174.44 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 p -81.35 167.44 19.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.87 -94.63 1.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -47.96 158.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.0 m -126.7 -52.94 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.41 81.39 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.2 p -61.22 141.75 57.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.8 t -100.01 158.22 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.72 161.68 51.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.1 m -144.96 111.59 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.2 m -74.21 158.0 34.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.18 -57.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -38.99 148.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -110.14 89.83 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.51 163.98 26.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.444 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 14.4 ttm180 -110.67 148.55 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.443 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.5 t-80 -100.46 124.62 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.79 169.84 20.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.6 t -144.23 126.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.447 ' CB ' ' OD1' ' A' ' 82' ' ' ASP . . . -66.04 121.97 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 pt -103.72 -32.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.55 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 52.3 m-85 -116.19 130.65 56.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -64.02 112.55 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -106.79 131.95 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -115.05 113.14 23.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -176.95 33.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -118.88 -44.31 2.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.56 149.45 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.12 150.29 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.73 -2.62 7.19 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.375 -0.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' NE2' ' OE2' ' A' ' 27' ' ' GLU . 63.3 mt-30 -68.46 137.41 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.6 tp -128.1 138.57 52.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 p -80.08 166.85 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.2 mt -151.03 154.63 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -129.08 133.45 47.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.2 mt -54.19 121.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.1 19.4 21.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.447 ' OD1' ' CB ' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -109.79 148.87 30.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' CG1' HD12 ' A' ' 99' ' ' ILE . 92.9 t -112.22 112.94 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 21.8 m -108.05 133.08 54.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -71.1 111.4 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 91.0 mt -80.83 114.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -95.94 -43.81 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -140.23 174.12 10.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.506 HG22 ' CD1' ' A' ' 94' ' ' TYR . 75.3 m -144.83 115.69 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.5 m -119.46 115.56 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.52 -126.67 28.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.585 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 1.1 m-20 -96.47 37.94 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.585 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 31.0 m95 -153.47 137.23 16.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.615 ' CE2' ' CB ' ' A' ' 110' ' ' LYS . 12.4 m-85 -94.0 174.35 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -135.82 109.11 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.32 -147.66 5.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.9 p90 -157.55 161.28 38.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.457 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 20.2 tp -70.5 115.5 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.452 HD12 ' CG1' ' A' ' 83' ' ' VAL . 70.2 mt -57.46 -55.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.457 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 10.1 ptmt -52.76 -26.03 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 98' ' ' LEU . 37.7 m-70 -144.63 104.98 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -83.58 30.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.478 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 9.7 ptm -107.15 -18.33 13.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 1.1 mp -111.95 101.1 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -115.39 148.55 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.2 -141.8 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.41 164.12 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -160.74 159.9 25.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.94 3.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.615 ' CB ' ' CE2' ' A' ' 94' ' ' TYR . 17.0 ptmt -53.17 -35.0 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.5 p -57.37 -14.41 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.541 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.6 m-85 -98.65 -13.42 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.5 mm -100.52 126.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -95.16 110.52 22.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.444 ' CG2' ' HD3' ' A' ' 60' ' ' ARG . 29.2 mm -74.85 107.45 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -81.74 91.85 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.83 48.97 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 19.7 m -82.21 -20.58 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -148.44 160.03 43.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -136.03 170.45 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.34 -152.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t -162.28 138.6 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -115.03 160.6 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.61 -170.62 35.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -119.55 145.78 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 tp -154.51 113.22 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 11' ' ' ASP . 0.4 OUTLIER -43.46 145.22 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.463 ' N ' HD11 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -172.62 111.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 11' ' ' ASP . 4.4 tt -35.34 -54.88 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -103.54 148.2 26.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -82.55 -45.91 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 mp -74.12 141.26 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -131.38 91.69 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 18' ' ' PRO . 86.2 mt -98.09 136.63 20.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 111.186 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.421 ' N ' HG22 ' A' ' 17' ' ' ILE . 54.3 Cg_endo -69.68 -178.38 2.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -83.53 -36.19 24.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -114.37 157.65 41.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.9 Cg_endo -69.73 123.34 10.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 159.22 54.27 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.77 3.82 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.451 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 74.5 mt -54.12 137.32 57.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.72 178.26 4.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.375 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' GLU . 6.8 tppt? -76.25 114.38 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' LYS . 3.9 tm-20 -35.32 126.68 0.57 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.636 0.731 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' HD3' ' NE1' ' A' ' 93' ' ' TRP . 54.2 Cg_endo -69.77 119.78 6.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -91.3 47.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -135.03 42.26 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' CE2' HG23 ' A' ' 107' ' ' ILE . 6.7 m-85 -123.67 37.72 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' PHE . 16.2 t70 -63.66 -39.64 94.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.2 p90 -34.95 129.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.8 m -98.98 93.15 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.71 -156.6 4.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' SER . 54.0 Cg_endo -69.77 2.86 3.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.634 2.222 . . . . 0.0 112.361 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' PRO . 50.8 m -34.0 -49.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' SER . 93.0 p 34.7 51.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.6 -47.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 40' ' ' ILE . 2.7 pp -117.93 30.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.114 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 7.9 tm-20 -59.86 164.65 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 43' ' ' ARG . . . -35.18 106.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -32.58 121.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.83 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' SER . . . 154.47 39.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' GLY . 4.3 m 37.14 39.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.8 m -93.85 170.47 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.17 87.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -113.93 151.24 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.8 p -64.48 135.74 56.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.77 -156.68 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -89.34 162.78 15.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.377 . . . . 0.0 110.813 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.5 t -73.53 107.29 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.25 -61.68 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -64.07 94.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 0.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' GLY . 64.1 m -60.05 -53.09 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 35.77 81.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.478 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -52.36 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 79.66 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -42.32 155.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -97.28 138.22 35.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CE1' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -90.81 121.15 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -125.77 158.0 19.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 9.3 t -139.83 127.74 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 134.81 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.4 pt -112.68 -28.52 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.462 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 41.5 m-85 -120.33 131.2 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.551 ' ND2' ' H ' ' A' ' 80' ' ' ILE . 8.8 m120 -60.1 115.0 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -108.75 138.17 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -122.98 116.84 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.46 -173.53 22.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -119.83 -48.49 2.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -175.97 153.58 15.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.528 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.97 154.15 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.69 . . . . 0.0 111.12 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.5 Cg_endo -69.8 -3.45 7.76 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.343 0.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 20.5 mt-30 -69.0 144.1 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 104' ' ' LEU . 8.2 tp -132.0 140.66 49.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -77.76 166.87 22.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.5 mt -155.67 152.91 29.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -128.31 132.98 48.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.551 ' H ' ' ND2' ' A' ' 67' ' ' ASN . 77.3 mt -49.44 123.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 20.89 27.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -108.96 138.95 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 61' ' ' HIS . 77.2 t -105.5 111.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 12.6 m -108.99 144.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -81.88 122.99 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.84 122.44 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.13 -41.87 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -133.54 151.4 51.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.5 m -134.71 112.58 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 53.8 m -126.45 139.72 53.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.16 -124.96 3.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 1.5 m-20 -108.75 45.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 52.0 m95 -154.12 137.21 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.562 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 23.0 m-85 -94.14 162.14 13.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.01 113.86 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.77 -143.23 4.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -157.95 164.72 36.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.449 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 37.8 tp -74.94 117.56 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 35.4 mt -61.14 -55.19 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.449 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -49.83 -28.22 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -149.28 105.23 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -84.07 31.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 27.8 mtp -95.81 -9.35 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 76' ' ' LEU . 0.3 OUTLIER -133.43 123.8 25.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -130.67 150.07 52.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.91 10.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.561 HG23 ' CE2' ' A' ' 31' ' ' TYR . 45.9 pt -127.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -159.69 161.22 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.86 9.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 5.6 mtpm? -54.56 -32.81 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -60.36 -12.69 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 6.1 m-85 -102.66 -17.37 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -99.29 128.72 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -104.24 114.62 28.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.19 117.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -77.06 47.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.71 88.19 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -73.62 -42.72 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -140.24 115.73 10.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -57.87 -61.19 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.4 -62.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.443 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -111.5 41.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -97.58 141.6 30.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.96 173.64 47.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.45 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -110.2 150.25 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -92.73 90.85 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.455 ' N ' HD11 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -75.08 179.75 4.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.24 112.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.803 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 tt -125.95 -64.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -94.09 -175.06 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.45 -44.12 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 mt -96.26 132.9 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -132.39 63.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 76.9 mt -109.26 138.45 20.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 54.4 Cg_endo -69.7 177.27 5.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.83 -35.37 14.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.9 150.9 67.6 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 115.12 3.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 169.73 18.19 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.356 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 114.58 3.74 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 72.5 mt -51.35 136.02 31.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.651 0.739 . . . . 0.0 111.136 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -179.11 2.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.34 139.72 32.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.02 124.33 51.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.461 ' HD3' ' CE2' ' A' ' 93' ' ' TRP . 53.6 Cg_endo -69.81 120.72 7.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 m -100.18 48.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -131.04 47.2 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 90' ' ' CYS . 33.1 m-85 -116.54 155.16 29.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -129.35 -48.0 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.833 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -35.5 121.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.9 t -92.14 105.07 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.11 151.86 25.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -37.23 9.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m -79.49 83.06 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.2 p -157.73 145.42 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.55 154.3 16.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -125.17 138.66 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' ILE . 5.4 tt0 -35.11 103.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.39 -111.27 1.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.401 ' C ' ' HD2' ' A' ' 43' ' ' ARG . 4.8 ppt_? -171.27 159.94 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.48 96.11 2.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -94.24 105.62 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 t -81.43 117.83 22.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.48 56.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.5 p -72.47 172.55 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 m -95.72 175.31 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.9 -92.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.4 t -61.74 100.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.793 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -80.17 175.31 10.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.5 65.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 m -72.09 -51.99 18.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.7 m -143.61 152.62 41.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.44 39.36 1.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.16 42.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -83.47 39.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -56.7 150.31 16.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -89.3 150.46 22.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.476 ' NE2' ' CG1' ' A' ' 83' ' ' VAL . 1.5 t-160 -107.39 124.62 50.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.29 171.19 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.441 HG23 ' CG2' ' A' ' 83' ' ' VAL . 5.4 t -146.03 130.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.25 124.96 24.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 pt -104.05 -19.19 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.481 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 49.1 m-85 -132.62 128.89 38.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -58.14 107.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -101.08 127.26 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -116.71 110.44 18.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.55 -166.22 27.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -118.2 -48.45 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.77 158.3 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.521 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.25 149.52 0.18 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -7.84 10.18 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.337 -0.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.74 137.49 52.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tp -126.29 140.0 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -81.33 156.38 25.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 mt -143.99 156.65 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -128.37 139.21 52.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.4 mt -52.68 137.54 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.69 15.22 81.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.73 132.49 52.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.476 ' CG1' ' NE2' ' A' ' 61' ' ' HIS . 74.6 t -97.23 131.48 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 31.6 m -121.09 142.58 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -84.36 104.19 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.22 132.03 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.46 -32.22 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -146.46 145.76 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -130.56 117.41 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 69.0 m -124.94 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.33 -125.1 9.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.5 26.87 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.461 ' CE2' ' HD3' ' A' ' 28' ' ' PRO . 20.4 m95 -133.07 145.39 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.553 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 10.7 m-85 -96.6 165.14 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -133.42 110.85 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.6 -150.01 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.3 p90 -157.05 161.52 39.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.404 . . . . 0.0 110.918 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 8.1 tp -70.32 113.23 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 58.9 mt -55.38 -49.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.46 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 7.8 ptpp? -59.58 -22.92 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -147.51 105.08 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -83.9 2.13 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 22.5 ptp -72.26 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.64 131.96 48.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -145.08 143.24 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.63 -142.41 6.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 pt -127.6 164.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -157.73 160.96 29.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.495 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.4 Cg_endo -69.83 123.66 10.3 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.553 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.9 mtpm? -57.45 -23.46 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.0 p -71.62 -8.56 54.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.495 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.9 m-85 -105.62 -15.21 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.24 126.3 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -99.92 102.96 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.85 111.03 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -88.5 104.39 16.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -128.85 87.96 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.3 m -81.0 -3.82 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -158.31 170.86 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -95.82 138.46 33.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.72 -121.72 4.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -87.83 82.46 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -130.98 43.37 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.4 -179.58 50.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -111.46 121.54 45.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 tt -152.3 108.9 3.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -110.66 -20.16 12.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -63.08 -8.49 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.538 ' CD1' ' C ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -39.59 -37.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -73.8 92.45 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.76 90.11 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.8 mm -103.48 136.69 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -133.2 107.09 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.985 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.431 ' CG2' ' HD2' ' A' ' 18' ' ' PRO . 85.8 mt -101.56 137.57 19.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 17' ' ' ILE . 53.8 Cg_endo -69.77 152.95 69.38 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.292 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.77 -39.65 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.84 151.52 47.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.66 8.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.288 . . . . 0.0 112.325 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 159.93 51.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.76 110.24 2.51 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.559 HD13 ' CE2' ' A' ' 68' ' ' PHE . 71.5 mt -34.52 138.59 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.2 Cg_endo -69.74 -178.22 2.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.85 134.48 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -46.19 143.15 3.77 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.55 ' HD3' ' CD1' ' A' ' 93' ' ' TRP . 53.8 Cg_endo -69.7 175.51 7.96 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -61.86 179.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -41.22 102.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.446 ' CE2' ' HG3' ' A' ' 74' ' ' PRO . 9.7 m-85 -43.32 114.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.31 91.52 1.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.05 -175.05 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.8 m -86.55 50.22 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.72 146.55 4.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.11 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 m -148.04 128.53 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 m -39.63 -45.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.84 -126.07 7.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 pt -152.5 170.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -40.65 -45.33 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.8 142.99 7.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -57.46 -54.61 44.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.84 133.56 11.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.0 m -73.2 88.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 t -167.27 110.04 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.25 149.75 5.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 m -159.63 156.77 28.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -123.28 42.11 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 37.14 -146.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.9 p -163.86 146.15 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 t -132.88 167.13 20.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.85 66.03 1.38 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 t -82.63 -50.5 8.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.814 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 m -149.48 145.32 26.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 90.55 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.34 49.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.834 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -100.67 35.6 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -93.69 -178.55 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -103.77 145.57 29.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.428 ' CE1' HG12 ' A' ' 83' ' ' VAL . 2.0 t-80 -105.65 119.24 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -122.9 157.09 17.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 83' ' ' VAL . 19.1 t -138.83 129.01 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 130.8 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -109.1 -16.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.423 ' OH ' ' CG2' ' A' ' 17' ' ' ILE . 51.3 m-85 -132.64 145.78 51.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -71.32 101.92 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' CE2' HD13 ' A' ' 24' ' ' ILE . 19.2 t80 -96.19 124.6 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -123.26 111.26 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.63 -143.07 13.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 m -133.94 -44.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.09 156.66 15.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.19 151.18 0.13 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.82 -3.19 7.63 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.329 0.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.4 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 28.7 mt-30 -73.67 123.94 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 104' ' ' LEU . 5.5 tp -112.67 139.61 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -77.36 164.58 25.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 108' ' ' PHE . 13.5 mt -153.38 153.35 32.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.99 136.69 49.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -47.06 132.87 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.81 15.56 65.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.97 136.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.449 HG11 ' N ' ' A' ' 84' ' ' VAL . 63.0 t -105.02 138.29 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.449 ' N ' HG11 ' A' ' 83' ' ' VAL . 17.6 m -129.78 142.0 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -80.06 104.57 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.6 mt -73.85 124.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.34 -36.42 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 12.9 tt0 -148.86 158.74 44.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 125.02 43.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -111.27 97.96 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.74 -124.94 37.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.472 ' OD2' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -83.9 13.16 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.55 ' CD1' ' HD3' ' A' ' 28' ' ' PRO . 10.2 m95 -128.09 155.09 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.557 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 30.7 m-85 -98.97 -178.05 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 2.7 tmm_? -143.58 110.56 5.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.28 -152.27 8.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.5 p90 -155.25 177.94 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.929 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 101' ' ' HIS . 6.5 tp -83.31 115.56 22.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.7 mt -59.66 -40.72 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -29.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 98' ' ' LEU . 96.4 m-70 -134.96 66.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -52.82 -25.32 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 28.4 mtm -42.02 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 76' ' ' LEU . 0.2 OUTLIER -117.08 125.0 50.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -134.5 142.27 46.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.74 -146.1 7.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.4 pt -126.24 167.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.49 ' CG ' HD11 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -160.16 161.04 26.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 132.94 24.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.557 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 36.6 mtpt -63.38 -29.19 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -62.34 -17.63 59.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.71 -13.16 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.4 mm -99.15 128.11 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -102.69 97.97 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.59 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -90.6 129.79 36.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.06 85.82 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -125.29 -59.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HD3' HG21 ' A' ' 115' ' ' ILE . 18.1 ttm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.71 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -95.38 118.04 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.536 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.92 169.66 16.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.867 HG22 HG22 ' A' ' 83' ' ' VAL . 14.2 t -144.86 130.5 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.05 126.44 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.412 ' C ' HG12 ' A' ' 80' ' ' ILE . 18.3 pt -105.2 -25.77 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 48.8 m-85 -122.97 137.33 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -67.71 111.32 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -99.5 135.65 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -119.55 111.3 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.27 -176.45 24.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -118.89 -41.61 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.94 154.63 13.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.29 153.78 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.4 Cg_endo -69.73 -2.77 7.28 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.365 0.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.447 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 43.1 mt-30 -70.81 133.38 46.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.21 140.15 52.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.2 p -78.67 156.31 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 mt -146.65 152.78 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -129.58 133.9 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.412 HG12 ' C ' ' A' ' 65' ' ' ILE . 88.9 mt -47.45 132.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.11 15.35 59.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.433 ' HB3' HD11 ' A' ' 98' ' ' LEU . 1.4 m-20 -109.79 139.98 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.867 HG22 HG22 ' A' ' 63' ' ' VAL . 90.5 t -105.34 137.84 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.629 HG12 HD12 ' A' ' 98' ' ' LEU . 32.1 m -124.77 144.84 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -83.39 100.62 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 60' ' ' ARG . 45.4 mt -73.49 119.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.52 -42.25 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.68 171.7 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -145.55 113.53 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.1 133.85 55.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -130.21 5.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.434 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 54.7 m-20 -100.46 35.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 41.2 m95 -145.12 141.46 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 36.2 m-85 -94.07 161.12 14.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -128.44 119.05 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.65 -145.34 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 4.1 p90 -157.97 168.61 26.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 0.0 110.937 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.629 HD12 HG12 ' A' ' 84' ' ' VAL . 10.0 tp -77.41 112.95 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.822 HD12 HG12 ' A' ' 83' ' ' VAL . 31.3 mt -55.34 -42.84 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.472 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 12.7 ptpt -68.45 -34.71 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.609 ' HB2' HD23 ' A' ' 98' ' ' LEU . 99.7 m-70 -135.0 85.29 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -64.51 -22.64 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.7 ptm -48.24 -20.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -120.26 125.76 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 66.6 mt-30 -134.98 152.59 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.23 10.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.54 167.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -159.53 160.82 27.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 133.46 25.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.524 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.0 mtpt -64.38 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -66.65 -13.03 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.3 m-85 -103.74 -14.57 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.0 mm -98.76 125.01 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.63 98.48 9.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.472 HG21 ' HD3' ' A' ' 60' ' ' ARG . 37.0 mm -67.41 111.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HD2' HG23 ' A' ' 63' ' ' VAL . 27.4 mtpt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.89 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -99.27 118.87 36.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -124.04 168.67 16.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.85 HG22 HG22 ' A' ' 83' ' ' VAL . 11.8 t -143.42 131.72 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.98 130.69 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG13 ' CD2' ' A' ' 66' ' ' TYR . 14.6 pt -107.73 -16.91 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.468 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 63.2 m-85 -136.15 140.52 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -66.42 104.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -90.46 133.0 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -128.23 107.59 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.11 -153.06 27.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -121.67 -42.79 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.13 162.21 24.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.69 151.26 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -3.81 7.92 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.357 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.414 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 12.3 mt-30 -69.9 140.54 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -129.52 141.49 50.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 p -77.81 162.04 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 84' ' ' VAL . 19.7 mt -147.39 156.14 42.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -128.39 136.46 50.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -48.75 124.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.38 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.66 133.01 54.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.894 HG12 HD12 ' A' ' 99' ' ' ILE . 96.2 t -101.15 128.19 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.639 HG11 HD21 ' A' ' 78' ' ' LEU . 27.7 m -119.72 141.99 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -83.38 110.52 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.3 mt -80.33 128.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -113.26 -39.52 4.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.63 149.06 47.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.4 m -119.61 114.83 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 72.4 m -116.19 116.87 28.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.39 -132.74 4.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 5.7 t70 -88.94 43.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 52.3 m95 -156.29 136.78 13.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 44.2 m-85 -93.99 157.48 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -122.77 116.87 24.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.82 -146.04 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -157.74 163.73 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.614 ' HA ' HG12 ' A' ' 84' ' ' VAL . 7.3 tp -72.65 113.54 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.894 HD12 HG12 ' A' ' 83' ' ' VAL . 61.6 mt -60.22 -44.49 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.613 ' HE2' HD21 ' A' ' 98' ' ' LEU . 8.4 pttt -64.17 -10.17 21.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -162.87 107.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -84.37 28.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 33.4 mtm -103.68 -2.7 26.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -135.02 117.01 15.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -126.19 150.58 48.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 167.91 -147.39 11.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 10.0 pt -131.86 168.22 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -160.28 161.38 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.75 135.24 29.99 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 3.4 mtmm -63.84 -31.7 72.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.6 t -60.82 -12.64 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.468 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 6.2 m-85 -104.37 -19.82 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 78' ' ' LEU . 37.9 mm -95.68 121.51 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -95.55 95.93 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.1 mm -65.02 115.19 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.822 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 22.7 ttm-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.651 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -112.51 118.35 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.08 161.74 17.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 83' ' ' VAL . 16.3 t -142.5 127.29 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.87 123.73 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 pt -104.96 -19.73 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.438 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 37.6 m-85 -126.29 140.19 52.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -69.34 108.85 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -103.12 135.94 43.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -134.64 117.18 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.79 -152.94 14.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 t -120.42 -47.08 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 178.03 158.04 20.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.6 152.94 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.76 -2.98 7.43 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.346 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.441 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 31.6 mt-30 -70.95 128.34 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.9 tp -114.33 138.63 50.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.6 p -77.1 160.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 113' ' ' ILE . 26.5 mt -150.55 148.44 28.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -130.12 138.91 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.3 mt -48.27 136.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.94 70.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' HB3' HD11 ' A' ' 98' ' ' LEU . 1.2 m-20 -109.44 134.16 52.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 63' ' ' VAL . 85.0 t -104.71 138.98 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 98' ' ' LEU . 24.3 m -129.62 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -84.02 100.02 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.36 117.01 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -108.48 -38.53 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 3.0 mm-40 -127.55 164.62 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 m -145.46 115.32 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' GLY . 92.9 m -122.47 130.35 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.08 -130.97 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.429 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.553 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 57.0 m-20 -93.08 41.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.553 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 44.0 m95 -152.42 143.57 23.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.502 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 31.7 m-85 -94.08 172.65 8.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 88' ' ' GLU . 40.5 tpt85 -144.98 109.06 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.59 -140.03 2.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 3.8 p90 -157.73 168.51 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.953 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.657 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.3 tp -78.94 116.77 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.867 HD12 HG12 ' A' ' 83' ' ' VAL . 28.6 mt -57.11 -53.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.411 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.56 -25.84 53.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.58 105.08 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -83.63 19.77 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.1 mmt -94.58 -11.77 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -122.25 119.58 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -132.38 147.88 52.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.0 -144.02 8.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.9 pt -130.87 159.2 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CG ' HD11 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -153.72 160.15 31.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.865 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.6 Cg_endo -69.66 130.67 19.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.388 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.502 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 6.3 mtpm? -60.14 -38.03 81.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.1 p -55.75 -15.98 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 15.7 m-85 -96.54 -25.48 15.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.615 HD11 ' CD1' ' A' ' 78' ' ' LEU . 38.2 mm -92.08 128.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -99.26 100.63 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.431 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 38.6 mm -67.15 106.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.9 mttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.844 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.855 0.359 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.526 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.6 t-80 -94.43 123.38 37.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -132.18 166.04 23.39 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 83' ' ' VAL . 15.7 t -140.0 127.57 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 111.119 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 120.23 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 pt -97.14 -31.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.415 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 34.3 m-85 -114.83 139.64 49.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -68.85 109.88 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.88 147.9 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -136.71 126.67 25.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.85 -178.21 15.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.7 t -109.23 -37.68 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.31 160.48 21.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.13 152.01 0.23 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.68 -3.77 7.79 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.41 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 66.4 mt-30 -71.61 133.61 45.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 10.6 tp -122.25 138.51 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 154.74 31.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.445 HD21 HG11 ' A' ' 84' ' ' VAL . 25.2 mt -149.2 153.41 37.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -129.88 137.22 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.2 mt -48.36 135.07 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.08 15.6 62.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -110.35 145.39 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 63' ' ' VAL . 90.3 t -110.13 144.04 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 98' ' ' LEU . 32.2 m -132.5 144.73 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -83.87 98.56 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.0 117.35 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -103.33 -42.52 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -135.24 159.03 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -137.34 127.93 26.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLY . 60.4 m -127.98 140.59 51.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.08 -110.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.48 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 6.3 m-20 -118.6 44.77 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 54.8 m95 -151.01 142.83 23.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.583 ' CZ ' HD11 ' A' ' 115' ' ' ILE . 15.9 m-85 -94.4 154.34 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.76 109.39 12.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.28 -144.95 4.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 3.5 p90 -158.03 161.17 38.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 ' HB2' ' A' ' 101' ' ' HIS . 12.5 tp -70.73 114.94 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.662 HD12 HG12 ' A' ' 83' ' ' VAL . 54.3 mt -57.25 -55.06 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -30.09 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.839 ' HB2' HD23 ' A' ' 98' ' ' LEU . 70.1 m-70 -135.0 90.05 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 19.8 mmtp -70.02 -0.64 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.1 mmm -80.94 4.34 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 101' ' ' HIS . 2.3 mp -136.38 116.14 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.45 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 26.9 mt-30 -130.43 149.95 51.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.81 -142.36 7.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.37 164.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.463 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -159.07 160.82 28.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.911 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.82 124.37 10.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 51.1 mtpt -55.14 -35.51 64.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.9 p -59.26 -11.91 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.471 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.4 m-85 -101.11 -18.66 16.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -100.41 131.02 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -100.49 107.04 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.583 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 51.8 mm -65.75 116.8 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.859 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.4 t-160 -120.95 117.82 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.593 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -122.35 170.62 15.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.911 HG22 HG22 ' A' ' 83' ' ' VAL . 4.9 t -143.65 131.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 124.3 22.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 pt -106.35 -16.94 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -135.68 134.5 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -60.4 105.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -93.71 140.79 29.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -140.09 105.97 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -148.5 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.7 t -126.2 -46.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.67 157.61 19.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.552 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.81 153.58 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -2.95 7.41 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.372 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.438 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 10.2 mt-30 -71.62 128.84 37.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.93 139.23 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.9 p -78.17 163.07 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.688 HD21 HG11 ' A' ' 84' ' ' VAL . 16.5 mt -146.25 156.72 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -128.37 136.69 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.8 mt -51.41 132.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.26 11.75 68.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.61 133.44 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.911 HG22 HG22 ' A' ' 63' ' ' VAL . 62.1 t -98.73 146.07 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.688 HG11 HD21 ' A' ' 78' ' ' LEU . 27.6 m -134.42 143.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -82.99 103.03 12.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.7 mt -70.87 132.02 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -116.99 -33.78 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -148.99 163.2 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.436 HG23 ' CD1' ' A' ' 94' ' ' TYR . 11.0 m -140.68 122.52 15.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 27.4 t -115.48 130.7 56.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.99 -98.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 9.9 m-20 -123.17 51.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 71.7 m95 -156.74 132.88 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 13.6 m-85 -94.32 141.84 28.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -112.81 138.09 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.2 -147.91 12.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 4.6 p90 -156.88 162.78 39.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 84' ' ' VAL . 10.2 tp -73.71 113.46 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 69.1 mt -53.65 -55.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.467 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 5.2 ptpt -52.38 -28.93 21.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -145.56 105.16 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 8.8 mtmm -84.33 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 103' ' ' MET . 3.0 mpp? -99.93 -7.33 25.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -126.85 105.82 8.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -115.82 150.82 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 165.75 -146.27 10.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 74' ' ' PRO . 37.5 pt -130.89 167.22 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -158.56 160.28 29.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.5 Cg_endo -69.78 128.74 16.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.684 2.256 . . . . 0.0 112.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 13.4 mtmt -59.42 -31.43 69.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.8 p -64.24 -8.69 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 11.8 m-85 -105.29 -18.32 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.665 HD11 ' CD1' ' A' ' 78' ' ' LEU . 40.5 mm -96.74 136.2 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -105.92 97.25 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.9 mm -69.05 104.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.488 ' NZ ' HG23 ' A' ' 63' ' ' VAL . 22.6 mtmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.499 ' HB3' HD12 ' A' ' 86' ' ' ILE . 7.3 ttm-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.783 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -104.02 121.79 43.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.455 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -127.27 165.6 20.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.788 HG22 HG22 ' A' ' 83' ' ' VAL . 15.4 t -141.27 127.19 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.56 127.87 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 pt -110.99 -15.48 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 29.8 m-85 -128.81 135.26 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -67.33 99.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -91.44 144.6 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -135.26 116.77 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.65 -165.89 21.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 -40.77 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 175.13 153.94 10.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.85 151.08 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.2 Cg_endo -69.79 -4.46 8.35 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.372 0.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.403 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 20.7 mt-30 -68.91 139.14 55.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.846 HD11 HD12 ' A' ' 104' ' ' LEU . 5.2 tp -129.15 147.33 50.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 99.0 p -85.61 158.01 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.514 HD21 HG11 ' A' ' 84' ' ' VAL . 20.0 mt -147.61 152.05 37.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -128.54 135.25 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.8 mt -47.56 128.44 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.88 18.17 41.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -111.97 144.09 41.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.788 HG22 HG22 ' A' ' 63' ' ' VAL . 83.9 t -111.17 134.5 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.666 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 33.0 m -123.98 143.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -81.13 105.69 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 60' ' ' ARG . 61.9 mt -76.34 127.26 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -114.56 -39.79 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -140.87 155.38 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.4 HG23 ' CD1' ' A' ' 94' ' ' TYR . 19.0 m -127.75 105.41 8.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLY . 23.8 m -107.51 129.76 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.48 -142.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.492 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 4.7 m-20 -81.15 42.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 52.0 m95 -151.71 143.14 23.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 15.6 m-85 -96.44 164.34 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 106' ' ' GLY . 9.9 tpt85 -127.42 118.56 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 177.27 -157.42 22.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -152.37 162.49 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 101' ' ' HIS . 19.8 tp -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.642 HD12 HG12 ' A' ' 83' ' ' VAL . 65.9 mt -56.25 -54.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -56.3 -32.12 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.83 ' HB2' HD23 ' A' ' 98' ' ' LEU . 38.5 m-70 -135.0 82.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.31 -3.87 9.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.545 ' HG3' HD23 ' A' ' 104' ' ' LEU . 7.9 ptp -66.26 -16.64 64.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.846 HD12 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -124.97 129.06 49.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -135.37 153.19 51.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 167.24 -143.61 8.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.1 pt -131.01 168.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -160.61 161.43 24.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.732 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 112' ' ' PHE . 53.6 Cg_endo -69.79 133.1 24.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 28.8 mtpt -63.01 -25.77 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.6 p -68.41 -11.06 59.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.8 m-85 -104.4 -17.85 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.473 HD11 ' CD1' ' A' ' 78' ' ' LEU . 51.2 mm -99.78 123.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -98.17 101.03 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.4 mm -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.0 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.848 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -94.86 118.27 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.602 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -125.0 167.27 17.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.887 HG22 HG22 ' A' ' 83' ' ' VAL . 12.8 t -142.76 133.71 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.59 130.07 41.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.41 HG23 ' HB2' ' A' ' 114' ' ' HIS . 13.4 pt -109.64 -15.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -138.46 141.83 39.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.25 105.69 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -98.07 121.09 39.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -124.02 109.61 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.47 -153.3 26.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -118.27 -40.53 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.97 159.28 19.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.558 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.43 151.12 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.1 Cg_endo -69.77 -3.61 7.82 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.364 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.409 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 33.4 mt-30 -69.25 123.12 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.4 tp -109.64 140.07 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.8 p -75.85 154.87 35.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.449 HD21 HG11 ' A' ' 84' ' ' VAL . 20.7 mt -146.27 154.68 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -129.98 134.49 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.6 mt -47.37 128.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.26 17.5 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.59 131.77 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.887 HG22 HG22 ' A' ' 63' ' ' VAL . 48.9 t -96.75 142.08 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 29.6 m -132.46 134.32 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.448 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 15.0 mmt180 -76.26 99.99 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.4 mt -70.8 120.01 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -104.69 -41.94 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 89' ' ' THR . 4.4 tm-20 -137.88 156.79 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 88' ' ' GLU . 40.1 m -132.13 110.03 10.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.5 p -100.75 121.3 41.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.4 -121.74 2.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 0.6 OUTLIER -96.06 37.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 35.1 m95 -146.98 150.2 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 25.2 m-85 -100.57 169.27 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.637 HH11 ' N ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -139.58 115.29 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.637 ' N ' HH11 ' A' ' 95' ' ' ARG . . . -172.6 -152.57 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.543 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 4.6 p90 -153.54 161.27 42.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.3 tp -70.41 118.93 13.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.448 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.6 mt -64.23 -48.86 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 13.3 ptpt -58.49 -14.3 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 74.2 m80 -161.05 106.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 5.6 mmmm -75.15 1.79 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.9 mtm -76.92 1.99 16.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 104' ' ' LEU . 1.1 mp -135.48 130.52 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.445 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 37.6 mt-30 -147.88 148.9 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.454 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 165.91 -145.76 10.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.28 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -151.58 160.26 32.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.744 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.74 133.16 24.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 14.3 mtpp -63.2 -22.56 66.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.6 m -70.97 -10.0 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.501 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 16.4 m-85 -106.15 -13.6 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -100.02 134.86 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.41 ' HB2' HG23 ' A' ' 65' ' ' ILE . 78.3 t60 -105.89 96.29 6.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.4 mm -65.84 112.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.853 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.8 t-80 -93.23 119.36 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -124.02 165.15 16.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 83' ' ' VAL . 6.7 t -145.04 130.1 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -68.72 136.41 52.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.544 HG13 ' CD2' ' A' ' 66' ' ' TYR . 16.0 pt -114.11 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CD2' HG13 ' A' ' 65' ' ' ILE . 45.8 m-85 -135.48 136.46 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.84 105.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.96 141.7 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -138.13 113.6 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.17 -151.1 17.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.79 -43.48 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.18 162.59 24.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.5 150.94 0.15 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.77 -3.33 7.65 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.348 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.416 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 56.3 mt-30 -71.23 130.95 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.5 tp -117.06 137.99 51.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.0 p -77.78 151.06 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.675 ' CD1' HD11 ' A' ' 113' ' ' ILE . 14.1 mt -140.13 155.73 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.488 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 38.6 mt-30 -129.79 146.94 51.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.5 mt -55.02 129.11 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.65 26.68 41.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.455 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.84 132.69 54.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 63' ' ' VAL . 84.9 t -102.72 134.95 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 98' ' ' LEU . 33.0 m -131.24 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.28 101.3 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.95 115.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.36 -43.3 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -132.62 163.57 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -144.7 124.92 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.7 t -123.53 124.24 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -118.17 1.67 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 t70 -103.68 42.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.581 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 45.1 m95 -152.0 138.62 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.47 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 34.2 m-85 -94.03 168.46 10.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' CZ ' HG23 ' A' ' 107' ' ' ILE . 13.6 tpp180 -142.52 116.08 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.38 -143.78 4.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.44 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 102' ' ' LYS . 3.6 p90 -157.88 164.43 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 84' ' ' VAL . 8.1 tp -74.8 113.1 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.641 HD12 HG12 ' A' ' 83' ' ' VAL . 53.2 mt -51.89 -55.05 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.51 ' HE3' HD21 ' A' ' 98' ' ' LEU . 16.9 pttt -55.57 -31.64 62.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -134.98 102.29 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 97' ' ' TYR . 11.8 mtpt -84.22 29.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 24.5 mtm -107.09 -6.36 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -126.87 109.77 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' A' ' 105' ' ' GLN . 12.8 mp0 -123.92 145.84 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.32 -144.37 7.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.459 HG23 ' CZ ' ' A' ' 95' ' ' ARG . 30.4 pt -131.4 161.98 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -155.96 159.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 132.61 23.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.47 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.2 mtpt -63.49 -24.49 67.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -68.34 -10.86 57.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.4 m-85 -106.42 -16.16 14.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.675 HD11 ' CD1' ' A' ' 78' ' ' LEU . 47.7 mm -100.39 137.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -113.71 108.07 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mm -67.25 112.39 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.855 0.359 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.828 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -103.4 117.86 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.58 167.6 15.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 HG22 ' A' ' 83' ' ' VAL . 16.6 t -143.08 127.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.67 128.7 37.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.482 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.4 pt -105.69 -28.34 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.482 ' CD2' HG13 ' A' ' 65' ' ' ILE . 64.8 m-85 -121.4 138.41 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -63.7 116.13 5.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 109' ' ' PRO . 40.8 t80 -104.9 141.92 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -129.0 120.93 26.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.22 -174.44 18.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -117.01 -39.89 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.17 156.88 12.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.537 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.73 151.91 0.11 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.532 0.682 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.77 -5.24 8.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.312 -0.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.84 147.24 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.924 HD11 HD12 ' A' ' 104' ' ' LEU . 9.6 tp -134.68 144.58 47.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.8 p -81.38 160.85 23.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.843 HD21 HG11 ' A' ' 84' ' ' VAL . 18.1 mt -151.2 154.54 37.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -127.05 132.81 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -44.66 124.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.84 24.89 24.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.539 ' OD1' HD22 ' A' ' 78' ' ' LEU . 1.5 p30 -109.78 140.61 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.828 HG11 ' NE2' ' A' ' 61' ' ' HIS . 80.6 t -105.49 113.98 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.843 HG11 HD21 ' A' ' 78' ' ' LEU . 28.3 m -113.73 130.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.463 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 6.1 mmt180 -72.18 110.48 6.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.87 123.58 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -110.25 -41.01 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -138.06 160.51 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.0 m -138.94 117.94 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 19.3 p -111.69 123.98 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.75 -110.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.495 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 3.5 t0 -109.59 41.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 38.5 m95 -148.53 135.82 20.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 13.5 m-85 -94.02 154.91 17.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.59 133.59 55.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.05 -152.64 15.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 5.5 p90 -158.18 159.32 36.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.6 tp -66.9 115.48 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.668 HD12 HG12 ' A' ' 83' ' ' VAL . 29.4 mt -63.01 -55.25 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 3.8 ptmm? -49.15 -18.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 97.8 m-70 -162.36 106.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 mtmm -82.99 31.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.495 ' N ' ' SD ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -91.42 -10.61 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.899 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.924 HD12 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -138.04 132.95 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -136.43 160.69 38.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.83 -147.96 14.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 37.0 pt -126.06 168.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.46 161.49 25.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.583 ' HD3' ' CE2' ' A' ' 68' ' ' PHE . 54.0 Cg_endo -69.73 135.08 29.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . 2.7 mtmp? -63.61 -36.62 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -59.36 -10.74 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.49 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.0 m-85 -101.93 -22.25 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.9 mm -94.98 132.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.431 ' HB2' HG23 ' A' ' 65' ' ' ILE . 75.3 t60 -104.17 101.79 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 45.2 mm -68.82 106.64 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.805 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.62 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.1 t-80 -101.11 117.79 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -118.83 169.59 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.572 HG23 ' HD2' ' A' ' 116' ' ' LYS . 6.4 t -144.08 130.0 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.488 ' CB ' ' OD2' ' A' ' 82' ' ' ASP . . . -68.44 135.99 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.535 HG13 ' CD2' ' A' ' 66' ' ' TYR . 3.7 pt -118.19 -29.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.581 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 57.3 m-85 -117.63 135.06 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 4.5 p-10 -65.45 100.42 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 69' ' ' GLN . 49.2 t80 -91.09 157.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' C ' ' CD ' ' A' ' 69' ' ' GLN . 3.6 pp0? -129.18 141.47 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.84 164.65 23.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 t -114.49 -31.71 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 166.91 148.56 5.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.55 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -39.26 152.3 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.71 -3.59 7.72 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.335 -0.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.411 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 32.1 mt-30 -72.66 128.13 34.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.672 HD11 HD12 ' A' ' 104' ' ' LEU . 4.0 tp -121.01 141.68 50.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.8 p -79.1 163.77 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG11 ' A' ' 84' ' ' VAL . 18.6 mt -148.33 155.35 41.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -129.04 132.77 47.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -46.22 126.47 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.87 27.32 26.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.488 ' OD2' ' CB ' ' A' ' 64' ' ' ALA . 1.5 p30 -110.0 141.32 42.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 99' ' ' ILE . 72.7 t -107.27 110.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.743 HG11 HD21 ' A' ' 78' ' ' LEU . 25.5 m -106.41 143.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.485 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 3.1 mmm180 -83.49 115.55 22.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.35 116.71 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -104.1 -35.36 8.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -143.16 170.77 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.9 m -146.02 124.64 12.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 11.6 t -120.36 130.65 54.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.86 -121.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 63.2 m-20 -97.53 42.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.542 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 67.6 m95 -151.44 144.5 24.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 16.4 m-85 -95.98 174.38 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -135.99 121.77 19.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.42 -157.09 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 2.5 p90 -155.22 176.52 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.925 0.393 . . . . 0.0 110.927 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.462 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 11.7 tp -77.35 112.73 14.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.935 HD12 HG12 ' A' ' 83' ' ' VAL . 51.0 mt -59.38 -51.67 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 15.4 ptmt -54.56 -18.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 100' ' ' LYS . 79.8 m-70 -156.65 105.53 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 26.2 mtmt -84.26 30.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 103' ' ' MET . 0.9 OUTLIER -92.69 -10.73 36.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.672 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -137.34 128.73 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -134.65 156.91 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.18 -142.07 7.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.6 pt -134.13 161.02 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.655 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -152.94 161.05 30.11 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.8 Cg_endo -69.76 131.76 21.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.292 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 15.3 mtpp -62.71 -25.11 68.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.0 p -67.85 -11.29 58.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.3 m-85 -104.17 -17.06 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.429 HD11 ' CD1' ' A' ' 78' ' ' LEU . 43.3 mm -100.56 128.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -101.4 100.89 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.48 113.25 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.572 ' HD2' HG23 ' A' ' 63' ' ' VAL . 25.3 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.622 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -103.32 121.48 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -128.06 166.2 20.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 83' ' ' VAL . 14.5 t -142.29 132.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.1 128.19 35.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.6 pt -106.83 -13.37 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 52.1 m-85 -136.32 142.31 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -70.48 101.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -89.45 154.2 20.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -134.82 126.15 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.14 172.63 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -105.39 -37.3 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 168.17 157.48 11.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.8 150.19 0.14 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.78 -4.33 8.26 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.359 0.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -68.96 143.16 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.67 HD11 HD12 ' A' ' 104' ' ' LEU . 12.5 tp -132.69 139.98 47.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 p -78.25 164.17 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.755 HD21 HG11 ' A' ' 84' ' ' VAL . 35.9 mt -153.66 153.12 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -129.86 134.71 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.2 mt -44.97 134.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.02 20.06 63.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.23 142.68 43.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 63' ' ' VAL . 95.9 t -107.03 140.48 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.755 HG11 HD21 ' A' ' 78' ' ' LEU . 33.8 m -130.52 131.28 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -71.59 101.68 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.53 113.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.14 -42.5 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -137.03 173.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.3 m -146.12 115.67 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 73.7 m -114.3 129.48 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.78 -127.92 5.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.44 30.81 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.7 m95 -139.55 146.01 39.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 26.8 m-85 -93.91 176.95 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -138.81 121.84 16.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.34 -158.01 24.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.8 p90 -151.19 164.17 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.2 tp -69.76 114.67 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.8 mt -60.23 -54.68 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 14.9 ptmt -51.95 -16.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 91.9 m-70 -159.58 105.35 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.577 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 8.8 mtpm? -84.2 30.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 47.6 mmm -95.01 -10.75 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.67 HD12 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -133.94 113.73 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -121.97 143.3 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.02 -143.12 6.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 pt -131.26 167.43 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.367 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.6 OUTLIER -159.42 161.38 27.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 110.873 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.3 Cg_endo -69.72 134.82 28.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 3.1 mtpm? -66.49 -24.89 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.8 p -67.62 -11.3 57.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 7.2 m-85 -104.2 -21.29 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.63 133.28 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -104.62 102.77 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.22 103.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.796 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.855 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -92.14 127.58 37.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.842 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -135.05 170.85 22.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 83' ' ' VAL . 14.5 t -144.29 129.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.12 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.49 127.35 32.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.1 pt -107.34 -32.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.458 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 25.9 m-85 -114.97 127.59 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -58.53 115.19 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -105.95 135.12 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -118.32 118.5 31.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.39 173.99 16.93 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -109.3 -43.49 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.94 152.43 10.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.03 151.91 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.76 -5.74 9.04 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.358 0.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.39 137.37 52.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 4.5 tp -127.38 142.38 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -80.34 160.88 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.641 HD21 HG11 ' A' ' 84' ' ' VAL . 21.0 mt -148.93 155.56 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -129.57 134.73 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -48.43 133.84 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.42 15.67 65.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.75 130.28 55.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 63' ' ' VAL . 58.8 t -95.31 139.73 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.641 HG11 HD21 ' A' ' 78' ' ' LEU . 28.0 m -127.35 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -77.19 109.79 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 52.9 mt -80.27 128.23 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -115.98 -35.44 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 89' ' ' THR . 31.0 tp10 -146.24 150.94 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 52.6 m -133.76 122.37 23.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.83 137.34 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.3 -118.36 1.64 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.435 ' C ' ' HG3' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -111.01 40.07 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 0.0 110.83 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -145.22 137.58 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 10.6 m-85 -94.87 157.31 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' GLU . 26.0 tpt85 -120.74 134.44 55.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.09 -148.72 15.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 102' ' ' LYS . 4.6 p90 -155.7 177.66 11.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.597 HD23 ' HB2' ' A' ' 101' ' ' HIS . 10.1 tp -84.79 112.94 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.623 ' CD1' HG12 ' A' ' 83' ' ' VAL . 29.9 mt -55.36 -43.73 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 ptpt -68.77 -34.51 75.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.597 ' HB2' HD23 ' A' ' 98' ' ' LEU . 98.4 m-70 -135.02 73.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -46.55 -34.84 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.605 ' C ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -43.29 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.64 ' N ' HD23 ' A' ' 104' ' ' LEU . 1.3 mt -103.55 116.12 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -136.91 135.18 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.7 -143.49 5.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.415 HG22 ' HD2' ' A' ' 95' ' ' ARG . 22.7 pt -128.57 156.73 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' CD1' HG13 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -152.34 160.21 31.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 112' ' ' PHE . 53.3 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.512 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 9.2 mtmt -59.96 -36.25 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 t -59.9 -10.59 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.519 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 4.0 m-85 -102.26 -24.74 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.446 HG13 ' CD1' ' A' ' 108' ' ' PHE . 48.4 mm -94.49 130.92 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -105.27 110.24 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.8 mm -65.63 119.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.607 ' HG2' HD12 ' A' ' 115' ' ' ILE . 1.6 tpm_? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.733 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -101.31 117.97 36.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.645 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.19 165.99 15.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 83' ' ' VAL . 5.8 t -144.07 134.82 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.124 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 132.47 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.442 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 22.1 pt -111.11 -14.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.578 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 24.3 m-85 -140.17 139.97 35.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.69 103.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -90.3 140.56 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -129.69 110.03 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.88 -156.86 26.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.2 m -127.64 -46.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.65 158.52 22.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.16 155.08 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.76 -2.58 7.21 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.367 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.46 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 7.9 mt-30 -68.77 145.36 53.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -131.21 144.18 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.6 p -82.22 159.27 23.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.447 HD21 HG11 ' A' ' 84' ' ' VAL . 24.1 mt -145.18 154.64 42.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -129.55 132.5 46.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.5 mt -45.63 131.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.32 61.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.88 133.45 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 63' ' ' VAL . 84.1 t -99.34 135.01 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.447 HG11 HD21 ' A' ' 78' ' ' LEU . 21.1 m -123.63 139.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.474 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 18.7 mmm-85 -80.52 102.19 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.93 116.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -101.25 -35.44 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.59 174.02 12.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.2 m -142.58 116.81 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.24 108.01 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.4 -126.45 11.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.594 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 65.7 m-20 -89.18 42.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 65.8 m95 -156.29 136.16 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 22.0 m-85 -93.49 163.4 13.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.889 ' HG2' HG22 ' A' ' 107' ' ' ILE . 1.4 mtp-105 -124.34 161.25 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.65 21.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 3.0 p90 -157.09 173.76 16.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 9.8 tp -78.26 115.36 17.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.601 HD12 HG12 ' A' ' 83' ' ' VAL . 53.8 mt -58.75 -44.0 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.468 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -66.9 -13.21 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -157.54 105.42 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -82.95 7.89 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -132.07 130.61 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 29.5 mt-30 -143.35 151.91 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 168.24 -144.63 8.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.889 HG22 ' HG2' ' A' ' 95' ' ' ARG . 33.5 pt -124.85 154.44 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' A' ' 84' ' ' VAL . 0.6 OUTLIER -144.93 160.22 47.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.915 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.0 Cg_endo -69.78 141.98 46.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.54 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 19.4 mtpp -73.19 -20.62 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.2 m -75.41 -5.88 47.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.3 m-85 -111.25 -11.91 14.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.45 133.88 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -113.5 102.23 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.607 HD12 ' HG2' ' A' ' 60' ' ' ARG . 21.9 mm -64.7 103.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.699 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.1 t-80 -107.59 122.29 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.871 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -125.94 165.3 19.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 83' ' ' VAL . 15.5 t -144.02 127.22 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.65 126.81 29.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.479 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.3 pt -102.88 -26.39 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CD2' HG13 ' A' ' 65' ' ' ILE . 65.2 m-85 -125.11 132.36 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -59.56 110.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -97.32 131.33 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.58 107.24 10.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.35 -161.42 30.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.2 m -121.85 -48.79 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.69 153.48 17.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.33 154.63 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.82 -2.25 7.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.319 0.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.465 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 33.3 mt-30 -70.56 122.13 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.838 HD11 HD12 ' A' ' 104' ' ' LEU . 7.8 tp -109.4 142.61 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -79.84 159.76 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.534 HD21 HG11 ' A' ' 84' ' ' VAL . 18.0 mt -148.41 156.53 42.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -130.02 137.68 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 99.2 mt -49.17 130.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.66 56.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -112.0 140.23 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 63' ' ' VAL . 46.0 t -107.16 140.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.718 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 28.7 m -127.53 130.94 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -68.02 99.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.84 113.57 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -97.11 -42.13 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -141.02 172.5 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 m -140.77 134.16 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 m -136.14 136.62 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.02 -120.01 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.522 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 26.4 t0 -109.84 38.99 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.531 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.9 m95 -148.12 144.14 27.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 23.2 m-85 -93.98 160.22 14.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -126.6 111.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.94 -145.8 4.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.482 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 3.1 p90 -158.03 172.21 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 101' ' ' HIS . 11.8 tp -77.99 119.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.0 mt -61.81 -53.27 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -32.23 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.656 ' HB2' HD23 ' A' ' 98' ' ' LEU . 44.5 m80 -135.0 91.36 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.482 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 23.0 mttp -82.17 37.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.477 ' HA ' ' HE3' ' A' ' 103' ' ' MET . 0.0 OUTLIER -104.7 -6.66 20.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -139.9 121.44 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -120.95 151.95 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.5 -141.24 5.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.447 HG22 ' HG2' ' A' ' 95' ' ' ARG . 31.3 pt -136.06 166.59 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.376 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.718 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -159.04 161.23 28.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.0 Cg_endo -69.7 127.74 15.07 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 56.0 mtpt -59.19 -31.21 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.8 m -63.31 -10.56 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.6 m-85 -103.23 -18.32 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.8 128.66 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -98.05 100.96 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.469 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 22.3 mm -69.39 100.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.877 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.677 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -93.95 119.64 33.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.492 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -128.51 167.73 20.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.874 HG22 HG22 ' A' ' 83' ' ' VAL . 10.8 t -141.12 130.71 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 132.67 47.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.4 pt -111.32 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -128.59 137.72 51.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.92 110.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -107.07 126.31 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -113.25 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.77 -179.56 49.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t -116.58 -36.03 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.86 150.01 6.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.82 153.71 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.627 0.727 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.72 -3.6 7.73 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.363 -0.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.435 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 39.2 mt-30 -70.97 127.88 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.94 HD11 HD12 ' A' ' 104' ' ' LEU . 8.4 tp -117.73 138.59 51.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.4 p -77.67 165.84 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 113' ' ' ILE . 17.7 mt -150.32 157.71 43.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.15 134.96 48.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -48.33 131.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.91 21.43 59.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.04 136.24 51.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.874 HG22 HG22 ' A' ' 63' ' ' VAL . 86.4 t -100.11 134.89 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.663 HG11 HD21 ' A' ' 78' ' ' LEU . 28.4 m -122.63 138.25 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.33 96.08 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 119.41 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -105.09 -40.22 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.5 149.99 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.5 m -132.9 115.28 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 5.8 t -122.82 136.75 54.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.48 -135.29 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 3.7 m-20 -96.61 41.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.423 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 65.9 m95 -151.74 143.44 23.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 19.7 m-85 -93.87 170.71 9.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.64 114.26 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.93 -145.44 5.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.44 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.465 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 p90 -157.02 164.5 37.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.55 HD12 HG12 ' A' ' 84' ' ' VAL . 9.2 tp -73.62 112.72 9.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.745 HD12 HG12 ' A' ' 83' ' ' VAL . 52.8 mt -53.63 -54.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' A' ' 98' ' ' LEU . 1.3 ptmm? -52.11 -35.72 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -133.27 101.78 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -80.25 4.91 16.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 34.5 mtm -76.51 -5.85 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.94 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.56 137.09 39.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.405 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 15.8 mt-30 -147.29 139.0 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -179.17 -147.08 7.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.0 pt -126.22 157.35 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 111.107 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.544 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -148.88 161.15 33.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.8 Cg_endo -69.77 124.18 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 5.8 mtpm? -56.82 -23.86 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 m -68.88 -10.97 59.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 9.1 m-85 -105.22 -16.99 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.702 HD11 ' CD1' ' A' ' 78' ' ' LEU . 48.1 mm -98.01 135.69 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -110.7 102.65 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.28 119.64 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.498 ' HD2' HG23 ' A' ' 63' ' ' VAL . 15.2 mtpp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.592 ' HB3' HD12 ' A' ' 86' ' ' ILE . 9.8 ttm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.459 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -109.45 117.78 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.41 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -129.97 171.99 20.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 83' ' ' VAL . 11.3 t -141.24 129.02 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 121.11 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.475 HG13 ' CD2' ' A' ' 66' ' ' TYR . 25.2 pt -96.4 -29.78 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CD2' HG13 ' A' ' 65' ' ' ILE . 55.4 m-85 -119.23 126.42 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.452 ' N ' HG13 ' A' ' 80' ' ' ILE . 10.3 p30 -62.43 105.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -94.7 151.13 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -146.79 111.17 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 -146.8 16.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -127.33 -49.76 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.11 157.21 22.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.65 154.05 0.15 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.718 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.77 -4.16 8.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.375 0.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.424 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 36.8 mt-30 -68.94 128.27 36.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.673 HD23 ' CD1' ' A' ' 108' ' ' PHE . 16.6 tp -113.65 140.67 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -85.1 164.47 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.537 ' CD1' HD11 ' A' ' 113' ' ' ILE . 18.2 mt -152.86 155.07 36.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -128.69 137.51 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 67' ' ' ASN . 69.4 mt -52.95 131.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.82 66.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.08 133.73 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 63' ' ' VAL . 70.5 t -97.28 146.49 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 98' ' ' LEU . 18.4 m -135.84 144.85 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 16.2 mmt85 -82.36 101.65 10.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.592 HD12 ' HB3' ' A' ' 60' ' ' ARG . 77.2 mt -70.68 115.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -96.37 -43.55 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -137.15 170.16 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.449 HG23 ' CD1' ' A' ' 94' ' ' TYR . 25.1 m -139.57 108.72 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLY . 6.2 t -103.08 117.43 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.32 -122.45 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 10.1 m-20 -91.78 40.35 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 39.3 m95 -152.14 136.55 16.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.52 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 24.2 m-85 -95.79 161.58 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -127.31 147.66 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.04 -148.76 20.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.0 p90 -158.0 178.97 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 84' ' ' VAL . 36.2 tp -85.4 129.98 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.464 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 1.7 mt -71.67 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.55 ' HE2' ' CD2' ' A' ' 101' ' ' HIS . 17.0 ptmt -49.16 -22.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 100' ' ' LYS . 45.9 m-70 -157.93 108.22 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 31.5 mttp -85.24 43.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.489 ' CE ' ' HB3' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -100.01 -25.75 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.7 OUTLIER -118.31 129.24 55.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.515 ' C ' HD13 ' A' ' 76' ' ' LEU . 3.2 mt-30 -139.38 150.13 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.87 -136.67 4.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.5 pt -131.12 160.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.673 ' CD1' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -152.37 160.13 31.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.77 135.43 30.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 39.7 mtpt -64.68 -35.85 82.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.0 p -59.54 -10.69 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.496 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 12.4 m-85 -102.62 -23.78 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 78' ' ' LEU . 33.7 mm -91.19 125.68 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' HIS . . . . . 0.464 ' HB2' HG23 ' A' ' 65' ' ' ILE . 84.6 t60 -104.05 97.81 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.61 124.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 14.4 ttm180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.802 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -100.46 124.62 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.79 169.84 20.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.516 HG21 ' HD2' ' A' ' 116' ' ' LYS . 16.6 t -144.23 126.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB2' ' OD1' ' A' ' 82' ' ' ASP . . . -66.04 121.97 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 pt -103.72 -32.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.565 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 52.3 m-85 -116.19 130.65 56.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.02 112.55 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -106.79 131.95 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -115.05 113.14 23.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -176.95 33.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -118.88 -44.31 2.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.56 149.45 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.563 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.12 150.29 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.73 -2.62 7.19 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.375 -0.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 63.3 mt-30 -68.46 137.41 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.678 HD23 ' CD2' ' A' ' 108' ' ' PHE . 13.6 tp -128.1 138.57 52.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 p -80.08 166.85 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.701 HD21 HG11 ' A' ' 84' ' ' VAL . 12.2 mt -151.03 154.63 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 44.6 mt-30 -129.08 133.45 47.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.2 mt -54.19 121.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.1 19.4 21.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.54 ' OD1' ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -109.79 148.87 30.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.802 HG11 ' NE2' ' A' ' 61' ' ' HIS . 92.9 t -112.22 112.94 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.701 HG11 HD21 ' A' ' 78' ' ' LEU . 21.8 m -108.05 133.08 54.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -71.1 111.4 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 91.0 mt -80.83 114.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -95.94 -43.81 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -140.23 174.12 10.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.499 HG23 ' CD1' ' A' ' 94' ' ' TYR . 75.3 m -144.83 115.69 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.5 m -119.46 115.56 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.52 -126.67 28.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.585 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 1.1 m-20 -96.47 37.94 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.585 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 31.0 m95 -153.47 137.23 16.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.615 ' CE2' ' CB ' ' A' ' 110' ' ' LYS . 12.4 m-85 -94.0 174.35 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -135.82 109.11 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.32 -147.66 5.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.9 p90 -157.55 161.28 38.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.45 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 20.2 tp -70.5 115.5 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.787 HD12 HG12 ' A' ' 83' ' ' VAL . 70.2 mt -57.46 -55.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 10.1 ptmt -52.76 -26.03 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 98' ' ' LEU . 37.7 m-70 -144.63 104.98 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -83.58 30.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.5 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 9.7 ptm -107.15 -18.33 13.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 1.1 mp -111.95 101.1 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -115.39 148.55 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.2 -141.8 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.41 164.12 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.678 ' CD2' HD23 ' A' ' 76' ' ' LEU . 2.4 p90 -160.74 159.9 25.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.94 3.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.615 ' CB ' ' CE2' ' A' ' 94' ' ' TYR . 17.0 ptmt -53.17 -35.0 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.5 p -57.37 -14.41 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.6 m-85 -98.65 -13.42 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 78' ' ' LEU . 38.5 mm -100.52 126.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -95.16 110.52 22.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.449 ' CG2' ' HD3' ' A' ' 60' ' ' ARG . 29.2 mm -74.85 107.45 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.516 ' HD2' HG21 ' A' ' 63' ' ' VAL . 9.0 mtpm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.78 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -90.81 121.15 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -125.77 158.0 19.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.96 HG22 HG22 ' A' ' 83' ' ' VAL . 9.3 t -139.83 127.74 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 134.81 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.4 pt -112.68 -28.52 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.438 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 41.5 m-85 -120.33 131.2 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.48 ' ND2' HD12 ' A' ' 80' ' ' ILE . 51.9 m-20 -60.1 115.0 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -108.75 138.17 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -122.98 116.84 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.46 -173.53 22.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -119.83 -48.49 2.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -175.97 153.58 15.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.545 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.97 154.15 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.69 . . . . 0.0 111.12 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.5 Cg_endo -69.8 -3.45 7.76 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.343 0.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.435 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 20.5 mt-30 -69.0 144.1 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.743 HD11 HD12 ' A' ' 104' ' ' LEU . 8.2 tp -132.0 140.66 49.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -77.76 166.87 22.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.62 HD21 HG11 ' A' ' 84' ' ' VAL . 20.5 mt -155.67 152.91 29.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -128.31 132.98 48.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.48 HD12 ' ND2' ' A' ' 67' ' ' ASN . 77.3 mt -49.44 123.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 20.89 27.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.484 ' OD1' HG13 ' A' ' 84' ' ' VAL . 1.1 p30 -108.96 138.95 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.96 HG22 HG22 ' A' ' 63' ' ' VAL . 77.2 t -105.5 111.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 78' ' ' LEU . 12.6 m -108.99 144.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -81.88 122.99 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.84 122.44 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.13 -41.87 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -133.54 151.4 51.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.422 HG23 ' HE2' ' A' ' 110' ' ' LYS . 98.5 m -134.71 112.58 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 53.8 m -126.45 139.72 53.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.16 -124.96 3.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 1.5 m-20 -108.75 45.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 52.0 m95 -154.12 137.21 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 23.0 m-85 -94.14 162.14 13.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' HG2' HG22 ' A' ' 107' ' ' ILE . 0.8 OUTLIER -132.01 113.86 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.77 -143.23 4.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -157.95 164.72 36.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.55 HD21 ' HD2' ' A' ' 100' ' ' LYS . 37.8 tp -74.94 117.56 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.955 HD12 HG12 ' A' ' 83' ' ' VAL . 35.4 mt -61.14 -55.19 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.55 ' HD2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -49.83 -28.22 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.403 ' HB2' HD23 ' A' ' 98' ' ' LEU . 97.5 m-70 -149.28 105.23 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -84.07 31.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 27.8 mtp -95.81 -9.35 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.743 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -133.43 123.8 25.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -130.67 150.07 52.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.91 10.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.448 HG22 ' HG2' ' A' ' 95' ' ' ARG . 45.9 pt -127.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.543 ' CD2' HD23 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -159.69 161.22 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.86 9.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 5.6 mtpm? -54.56 -32.81 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -60.36 -12.69 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 6.1 m-85 -102.66 -17.37 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -99.29 128.72 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -104.24 114.62 28.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.19 117.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.826 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-160 -107.39 124.62 50.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.29 171.19 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 83' ' ' VAL . 5.4 t -146.03 130.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -67.25 124.96 24.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 pt -104.05 -19.19 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.506 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 49.1 m-85 -132.62 128.89 38.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -58.14 107.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -101.08 127.26 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -116.71 110.44 18.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.55 -166.22 27.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -118.2 -48.45 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.77 158.3 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.25 149.52 0.18 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -7.84 10.18 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.337 -0.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.74 137.49 52.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.87 HD11 HD12 ' A' ' 104' ' ' LEU . 7.9 tp -126.29 140.0 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -81.33 156.38 25.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.675 HD21 HG11 ' A' ' 84' ' ' VAL . 20.0 mt -143.99 156.65 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 45.6 mt-30 -128.37 139.21 52.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.4 mt -52.68 137.54 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.69 15.22 81.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.73 132.49 52.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.826 HG11 ' NE2' ' A' ' 61' ' ' HIS . 74.6 t -97.23 131.48 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.675 HG11 HD21 ' A' ' 78' ' ' LEU . 31.6 m -121.09 142.58 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -84.36 104.19 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.22 132.03 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.46 -32.22 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -146.46 145.76 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -130.56 117.41 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 69.0 m -124.94 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.33 -125.1 9.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.5 26.87 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -133.07 145.39 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 10.7 m-85 -96.6 165.14 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -133.42 110.85 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.6 -150.01 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.3 p90 -157.05 161.52 39.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.404 . . . . 0.0 110.918 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.494 ' HA ' HG12 ' A' ' 84' ' ' VAL . 8.1 tp -70.32 113.23 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.707 HD12 HG12 ' A' ' 83' ' ' VAL . 58.9 mt -55.38 -49.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.465 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 7.8 ptpp? -59.58 -22.92 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.582 ' HB2' HD21 ' A' ' 104' ' ' LEU . 98.6 m-70 -147.51 105.08 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -83.9 2.13 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.42 ' HG2' HD23 ' A' ' 104' ' ' LEU . 22.5 ptp -72.26 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.87 HD12 HD11 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -128.64 131.96 48.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -145.08 143.24 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.63 -142.41 6.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 pt -127.6 164.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -157.73 160.96 29.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.4 Cg_endo -69.83 123.66 10.3 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.9 mtpm? -57.45 -23.46 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.0 p -71.62 -8.56 54.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.9 m-85 -105.62 -15.21 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.663 HD11 ' CD1' ' A' ' 78' ' ' LEU . 48.5 mm -102.24 126.3 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -99.92 102.96 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.85 111.03 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.82 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -105.65 119.24 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -122.9 157.09 17.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 1.018 HG22 HG22 ' A' ' 83' ' ' VAL . 19.1 t -138.83 129.01 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 130.8 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -109.1 -16.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -132.64 145.78 51.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -71.32 101.92 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -96.19 124.6 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -123.26 111.26 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.63 -143.07 13.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 m -133.94 -44.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.09 156.66 15.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.19 151.18 0.13 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.82 -3.19 7.63 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.329 0.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 28.7 mt-30 -73.67 123.94 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 104' ' ' LEU . 5.5 tp -112.67 139.61 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -77.36 164.58 25.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 113' ' ' ILE . 13.5 mt -153.38 153.35 32.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.99 136.69 49.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -47.06 132.87 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.81 15.56 65.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.97 136.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 1.018 HG22 HG22 ' A' ' 63' ' ' VAL . 63.0 t -105.02 138.29 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 17.6 m -129.78 142.0 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -80.06 104.57 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.6 mt -73.85 124.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.34 -36.42 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 12.9 tt0 -148.86 158.74 44.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 125.02 43.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -111.27 97.96 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.74 -124.94 37.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.472 ' OD2' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -83.9 13.16 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.472 ' NE1' ' OD2' ' A' ' 92' ' ' ASP . 10.2 m95 -128.09 155.09 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 30.7 m-85 -98.97 -178.05 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 2.7 tmm_? -143.58 110.56 5.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.28 -152.27 8.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.5 p90 -155.25 177.94 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.929 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.966 HD23 ' HB2' ' A' ' 101' ' ' HIS . 6.5 tp -83.31 115.56 22.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.607 ' CD1' HG12 ' A' ' 83' ' ' VAL . 32.7 mt -59.66 -40.72 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -29.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.966 ' HB2' HD23 ' A' ' 98' ' ' LEU . 96.4 m-70 -134.96 66.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -52.82 -25.32 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 28.4 mtm -42.02 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -117.08 125.0 50.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -134.5 142.27 46.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.74 -146.1 7.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.4 pt -126.24 167.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.485 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -160.16 161.04 26.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 132.94 24.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.561 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 36.6 mtpt -63.38 -29.19 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -62.34 -17.63 59.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.71 -13.16 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 78' ' ' LEU . 43.4 mm -99.15 128.11 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -102.69 97.97 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.59 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -134.29 134.81 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -140.48 141.98 35.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.46 -153.58 28.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -89.86 170.09 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -126.27 172.02 10.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.8 38.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 11.0 mtp-105 -131.3 44.55 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 10' ' ' LEU . 50.8 tp -116.84 100.29 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.95 176.86 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -109.27 -4.0 16.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.59 75.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -57.14 132.94 54.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -165.61 116.06 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.783 ' H ' HD12 ' A' ' 15' ' ' ILE . 5.0 mp -46.71 146.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -74.26 71.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 18' ' ' PRO . 87.3 mt -99.99 138.61 20.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.651 0.739 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.6 Cg_endo -69.77 159.04 54.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -50.81 -40.67 56.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.5 150.48 57.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.584 ' HB3' ' CD2' ' A' ' 66' ' ' TYR . 53.4 Cg_endo -69.82 144.75 54.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.326 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 168.05 22.68 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.2 Cg_endo -69.77 110.05 2.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 25' ' ' PRO . 86.3 mt -34.42 138.66 0.32 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.6 Cg_endo -69.76 177.35 5.66 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.377 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.5 141.99 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.33 147.29 14.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.736 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HD3' ' CD1' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.71 157.39 60.65 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 p -57.24 173.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -42.39 106.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 28' ' ' PRO . 24.1 m-85 -43.39 151.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.23 46.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -67.71 174.81 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.2 m -156.97 121.43 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.21 -161.53 35.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.3 23.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.25 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.0 t -46.33 122.79 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 m -87.09 138.34 31.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.86 -31.25 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.767 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.6 pp -90.03 24.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.62 -43.01 93.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.9 -44.0 96.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -58.96 -47.64 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.25 128.43 5.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.1 m -156.97 127.61 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -72.16 157.45 37.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.92 78.44 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 p -117.2 41.91 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.1 t -94.3 142.91 26.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.74 -112.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.6 p -52.6 115.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.7 m -87.98 -56.23 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.07 -138.98 7.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.546 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 m -111.08 83.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.822 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 p -74.33 -48.19 29.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.43 84.7 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -85.68 49.2 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -124.18 80.31 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -90.64 172.23 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HD3' HG21 ' A' ' 115' ' ' ILE . 18.1 ttm-85 -108.08 138.5 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.71 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -95.38 118.04 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.536 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.92 169.66 16.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.867 HG22 HG22 ' A' ' 83' ' ' VAL . 14.2 t -144.86 130.5 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.05 126.44 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.412 ' C ' HG12 ' A' ' 80' ' ' ILE . 18.3 pt -105.2 -25.77 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.584 ' CD2' ' HB3' ' A' ' 21' ' ' PRO . 48.8 m-85 -122.97 137.33 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -67.71 111.32 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -99.5 135.65 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -119.55 111.3 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.27 -176.45 24.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -118.89 -41.61 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.94 154.63 13.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.29 153.78 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.4 Cg_endo -69.73 -2.77 7.28 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.365 0.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.447 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 43.1 mt-30 -70.81 133.38 46.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.21 140.15 52.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.2 p -78.67 156.31 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 mt -146.65 152.78 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -129.58 133.9 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.412 HG12 ' C ' ' A' ' 65' ' ' ILE . 88.9 mt -47.45 132.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.11 15.35 59.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.433 ' HB3' HD11 ' A' ' 98' ' ' LEU . 1.4 m-20 -109.79 139.98 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.867 HG22 HG22 ' A' ' 63' ' ' VAL . 90.5 t -105.34 137.84 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.629 HG12 HD12 ' A' ' 98' ' ' LEU . 32.1 m -124.77 144.84 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -83.39 100.62 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 60' ' ' ARG . 45.4 mt -73.49 119.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.52 -42.25 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.68 171.7 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -145.55 113.53 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.1 133.85 55.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -130.21 5.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.434 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 54.7 m-20 -100.46 35.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 41.2 m95 -145.12 141.46 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 36.2 m-85 -94.07 161.12 14.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -128.44 119.05 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.65 -145.34 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 4.1 p90 -157.97 168.61 26.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 0.0 110.937 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.629 HD12 HG12 ' A' ' 84' ' ' VAL . 10.0 tp -77.41 112.95 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.822 HD12 HG12 ' A' ' 83' ' ' VAL . 31.3 mt -55.34 -42.84 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.472 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 12.7 ptpt -68.45 -34.71 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.609 ' HB2' HD23 ' A' ' 98' ' ' LEU . 99.7 m-70 -135.0 85.29 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -64.51 -22.64 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.7 ptm -48.24 -20.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -120.26 125.76 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 66.6 mt-30 -134.98 152.59 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.23 10.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.54 167.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -159.53 160.82 27.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 133.46 25.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.524 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.0 mtpt -64.38 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -66.65 -13.03 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.3 m-85 -103.74 -14.57 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.0 mm -98.76 125.01 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.63 98.48 9.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.472 HG21 ' HD3' ' A' ' 60' ' ' ARG . 37.0 mm -67.41 111.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HD2' HG23 ' A' ' 63' ' ' VAL . 27.4 mtpt -85.04 128.53 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -131.41 46.47 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.7 m -62.9 -10.44 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.18 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 33.6 t -37.15 104.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -140.2 158.1 44.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.72 179.43 36.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.5 m -101.06 82.71 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -64.5 139.2 58.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.07 -155.43 26.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.438 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -173.8 144.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.33 114.25 12.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mp -125.34 132.61 52.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.41 -8.03 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.64 38.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.87 112.64 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -165.1 105.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.8 137.15 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -117.85 91.68 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 18' ' ' PRO . 66.1 mt -71.59 138.63 83.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.6 Cg_endo -69.76 174.89 8.85 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.371 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -77.89 -42.35 33.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.06 147.87 52.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.569 0.699 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.5 Cg_endo -69.72 142.9 49.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.352 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.44 21.53 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.71 18.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.284 . . . . 0.0 112.324 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 25' ' ' PRO . 75.0 mt -73.82 136.43 77.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.82 -173.22 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -77.25 139.41 39.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.594 ' HG2' ' CH2' ' A' ' 93' ' ' TRP . 40.2 mt-10 -78.28 140.04 60.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.554 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 54.0 Cg_endo -69.68 157.16 61.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' ASN . 68.8 m -87.1 148.74 25.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' SER . 22.1 m120 -34.95 109.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 28' ' ' PRO . 46.9 m-85 -81.21 170.31 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -54.17 97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.87 163.63 15.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.6 m -149.08 125.0 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.48 172.68 28.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 112.65 3.14 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.671 2.248 . . . . 0.0 112.304 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.3 m -98.86 82.05 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.6 m 49.09 43.49 22.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.82 172.12 20.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -138.99 160.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -118.83 89.07 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.45 -153.82 25.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -133.24 100.39 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.03 73.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.4 t -124.12 129.83 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.377 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -167.13 170.64 11.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' SER . . . 45.41 -111.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' GLY . 29.8 p 36.75 42.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.4 t -95.41 88.07 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.75 81.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.7 p -80.36 -50.16 10.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.4 m -50.39 130.88 24.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.807 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.1 72.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -120.69 151.32 39.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -134.21 166.08 23.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.22 107.62 2.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.66 42.26 1.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? 65.19 48.04 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -48.13 149.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -111.64 152.21 27.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.89 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -99.27 118.87 36.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -124.04 168.67 16.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.85 HG22 HG22 ' A' ' 83' ' ' VAL . 11.8 t -143.42 131.72 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.98 130.69 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG13 ' CD2' ' A' ' 66' ' ' TYR . 14.6 pt -107.73 -16.91 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 63.2 m-85 -136.15 140.52 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -66.42 104.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -90.46 133.0 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -128.23 107.59 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.11 -153.06 27.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -121.67 -42.79 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.13 162.21 24.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.69 151.26 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -3.81 7.92 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.357 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 12.3 mt-30 -69.9 140.54 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -129.52 141.49 50.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 p -77.81 162.04 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 84' ' ' VAL . 19.7 mt -147.39 156.14 42.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -128.39 136.46 50.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -48.75 124.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.38 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.66 133.01 54.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.894 HG12 HD12 ' A' ' 99' ' ' ILE . 96.2 t -101.15 128.19 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.639 HG11 HD21 ' A' ' 78' ' ' LEU . 27.7 m -119.72 141.99 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -83.38 110.52 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.3 mt -80.33 128.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -113.26 -39.52 4.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.63 149.06 47.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.4 m -119.61 114.83 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.465 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 72.4 m -116.19 116.87 28.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.39 -132.74 4.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 5.7 t70 -88.94 43.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.594 ' CH2' ' HG2' ' A' ' 27' ' ' GLU . 52.3 m95 -156.29 136.78 13.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 44.2 m-85 -93.99 157.48 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -122.77 116.87 24.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.82 -146.04 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -157.74 163.73 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.614 ' HA ' HG12 ' A' ' 84' ' ' VAL . 7.3 tp -72.65 113.54 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.894 HD12 HG12 ' A' ' 83' ' ' VAL . 61.6 mt -60.22 -44.49 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.613 ' HE2' HD21 ' A' ' 98' ' ' LEU . 8.4 pttt -64.17 -10.17 21.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -162.87 107.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -84.37 28.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 33.4 mtm -103.68 -2.7 26.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -135.02 117.01 15.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -126.19 150.58 48.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 167.91 -147.39 11.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 10.0 pt -131.86 168.22 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -160.28 161.38 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.75 135.24 29.99 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 3.4 mtmm -63.84 -31.7 72.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.6 t -60.82 -12.64 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.52 ' CE1' HG12 ' A' ' 24' ' ' ILE . 6.2 m-85 -104.37 -19.82 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 78' ' ' LEU . 37.9 mm -95.68 121.51 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -95.55 95.93 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.1 mm -65.02 115.19 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -96.21 151.99 18.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.19 83.61 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.1 t -76.89 -58.03 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 p -127.7 149.03 50.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -159.8 165.92 31.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.39 95.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -63.2 163.31 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -153.18 165.14 36.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.6 117.09 1.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -102.83 -175.14 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 9' ' ' LEU . 1.5 pp -165.42 134.01 3.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 1.9 mm? -98.82 176.42 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.493 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.73 109.03 0.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' ASP . 16.8 tp -35.76 -48.61 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' LEU . 37.3 mt-10 -36.21 146.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -132.79 100.12 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.699 HG22 ' H ' ' A' ' 16' ' ' GLN . 4.6 mm -106.84 173.73 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.699 ' H ' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.5 37.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.938 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.543 HG23 ' HD2' ' A' ' 18' ' ' PRO . 59.6 mt -110.96 136.03 20.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.698 0.761 . . . . 0.0 111.1 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.5 Cg_endo -69.79 149.4 66.68 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -52.43 -40.37 62.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -132.24 159.74 70.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.4 Cg_endo -69.72 125.95 12.76 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.258 . . . . 0.0 112.368 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.61 37.62 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.738 2.292 . . . . 0.0 112.304 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 115.01 3.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.386 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 25' ' ' PRO . 80.5 mt -40.45 138.45 1.21 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.575 0.703 . . . . 0.0 111.145 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.4 Cg_endo -69.78 -174.29 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.07 133.21 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -55.64 143.83 57.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.73 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.517 ' HD3' ' CG ' ' A' ' 93' ' ' TRP . 53.6 Cg_endo -69.83 147.43 62.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -130.36 168.96 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 52.83 45.21 29.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -44.98 150.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.34 -36.54 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.502 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 13.3 p90 -84.91 35.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.1 p -126.22 101.99 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.96 -175.82 44.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 0.22 5.92 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.0 t 63.48 40.88 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 p -161.3 160.02 29.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.76 -173.02 45.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.421 HD11 ' HB2' ' A' ' 48' ' ' SER . 7.4 pt -63.4 -8.53 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' C ' ' CD ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -103.77 100.71 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -155.19 -119.79 0.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -86.01 86.86 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.97 131.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.7 p -38.23 -43.15 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.7 t -61.82 134.42 56.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.908 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.19 -171.2 12.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.421 ' HB2' HD11 ' A' ' 40' ' ' ILE . 27.2 t -122.88 155.26 37.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.829 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.8 p -173.96 157.27 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.42 -163.22 10.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 m -100.33 -51.06 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.0 p -122.82 138.13 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.79 -90.21 2.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -104.21 119.91 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.6 m -108.89 93.95 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.81 130.56 8.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.88 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 tttt 40.63 41.03 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.38 177.48 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 22.7 ttm-85 -88.87 154.2 20.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.651 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -112.51 118.35 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.08 161.74 17.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 83' ' ' VAL . 16.3 t -142.5 127.29 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.87 123.73 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 pt -104.96 -19.73 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.438 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 37.6 m-85 -126.29 140.19 52.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -69.34 108.85 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' HE2' HD13 ' A' ' 24' ' ' ILE . 31.4 t80 -103.12 135.94 43.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -134.64 117.18 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.79 -152.94 14.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 t -120.42 -47.08 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 178.03 158.04 20.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.6 152.94 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.76 -2.98 7.43 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.346 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.441 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 27.2 mt-30 -70.95 128.34 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.9 tp -114.33 138.63 50.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.6 p -77.1 160.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 113' ' ' ILE . 26.5 mt -150.55 148.44 28.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -130.12 138.91 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.3 mt -48.27 136.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.94 70.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' HB3' HD11 ' A' ' 98' ' ' LEU . 1.2 m-20 -109.44 134.16 52.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 63' ' ' VAL . 85.0 t -104.71 138.98 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 98' ' ' LEU . 24.3 m -129.62 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -84.02 100.02 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.36 117.01 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -108.48 -38.53 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 3.0 mm-40 -127.55 164.62 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 m -145.46 115.32 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' GLY . 92.9 m -122.47 130.35 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.08 -130.97 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.429 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.553 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 57.0 m-20 -93.08 41.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.553 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 44.0 m95 -152.42 143.57 23.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.502 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 31.7 m-85 -94.08 172.65 8.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 88' ' ' GLU . 40.5 tpt85 -144.98 109.06 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.59 -140.03 2.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 3.8 p90 -157.73 168.51 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.953 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.657 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.3 tp -78.94 116.77 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.867 HD12 HG12 ' A' ' 83' ' ' VAL . 28.6 mt -57.11 -53.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.411 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.56 -25.84 53.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.58 105.08 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -83.63 19.77 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.1 mmt -94.58 -11.77 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.618 HD12 ' N ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -122.25 119.58 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -132.38 147.88 52.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.0 -144.02 8.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.9 pt -130.87 159.2 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CG ' HD11 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -153.72 160.15 31.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.865 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.6 Cg_endo -69.66 130.67 19.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.388 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.502 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 6.3 mtpm? -60.14 -38.03 81.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.1 p -55.75 -15.98 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 15.7 m-85 -96.54 -25.48 15.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.615 HD11 ' CD1' ' A' ' 78' ' ' LEU . 38.2 mm -92.08 128.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -99.26 100.63 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.431 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 38.6 mm -67.15 106.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -71.64 120.48 17.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -114.4 81.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.49 -58.22 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -91.98 -51.06 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.842 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -153.55 144.03 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.77 178.12 45.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -99.92 139.61 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -93.28 153.68 18.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.24 132.31 11.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -85.05 161.02 19.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 10' ' ' LEU . 3.3 pp -41.25 -40.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 9' ' ' LEU . 1.5 tp -50.82 163.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.09 112.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.54 -43.52 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -71.57 105.41 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -103.29 39.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.488 HG22 HG13 ' A' ' 17' ' ' ILE . 11.0 mm -52.24 142.34 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -89.18 44.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 18' ' ' PRO . 74.2 mt -50.56 138.42 22.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.4 Cg_endo -69.81 -172.68 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.302 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -73.58 -42.36 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.15 151.2 71.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.517 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.7 Cg_endo -69.81 151.97 68.92 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.579 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 53.5 Cg_endo -69.74 161.62 45.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 120.71 7.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.416 HG23 ' HD2' ' A' ' 25' ' ' PRO . 92.2 mt -56.34 132.4 76.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.5 Cg_endo -69.73 177.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -77.68 123.5 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -49.63 144.26 9.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.934 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 102.88 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -82.94 48.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -174.99 108.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.16 139.07 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.84 -25.35 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' SER . 30.7 p90 -94.09 -32.78 13.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' PHE . 79.1 p 35.05 53.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.32 149.05 1.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 179.84 3.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.3 t -77.34 97.25 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 p -66.31 166.27 12.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -104.79 -56.97 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.14 153.6 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 153.98 19.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.91 166.34 33.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -51.87 115.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.04 76.79 0.49 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 t -104.53 95.32 5.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -147.64 122.7 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.74 140.69 3.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.3 p -75.18 99.0 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 t -96.49 114.98 26.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 45.55 82.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.1 m -79.94 153.76 28.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.7 p -66.24 174.65 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.95 -47.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.6 m -38.61 -49.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.8 p -117.35 158.8 23.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.27 50.51 4.04 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.1 -47.42 3.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -77.74 80.97 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -87.37 148.6 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -87.51 138.97 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.526 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.6 t-80 -94.43 123.38 37.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -132.18 166.04 23.39 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 83' ' ' VAL . 15.7 t -140.0 127.57 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 111.119 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 120.23 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 pt -97.14 -31.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.579 ' CE2' ' HD2' ' A' ' 22' ' ' PRO . 34.3 m-85 -114.83 139.64 49.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.4 OUTLIER -68.85 109.88 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.88 147.9 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -136.71 126.67 25.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.85 -178.21 15.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.7 t -109.23 -37.68 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.31 160.48 21.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.13 152.01 0.23 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.68 -3.77 7.79 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.41 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 30.5 mt-30 -71.61 133.61 45.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 10.6 tp -122.25 138.51 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 154.74 31.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.445 HD21 HG11 ' A' ' 84' ' ' VAL . 25.2 mt -149.2 153.41 37.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -129.88 137.22 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.2 mt -48.36 135.07 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.08 15.6 62.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -110.35 145.39 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 63' ' ' VAL . 90.3 t -110.13 144.04 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 98' ' ' LEU . 32.2 m -132.5 144.73 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -83.87 98.56 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.0 117.35 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -103.33 -42.52 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -135.24 159.03 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -137.34 127.93 26.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLY . 60.4 m -127.98 140.59 51.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.08 -110.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.48 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 6.3 m-20 -118.6 44.77 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 54.8 m95 -151.01 142.83 23.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.583 ' CZ ' HD11 ' A' ' 115' ' ' ILE . 15.9 m-85 -94.4 154.34 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.76 109.39 12.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.28 -144.95 4.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 3.5 p90 -158.03 161.17 38.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 ' HB2' ' A' ' 101' ' ' HIS . 12.5 tp -70.73 114.94 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.662 HD12 HG12 ' A' ' 83' ' ' VAL . 54.3 mt -57.25 -55.06 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -30.09 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.839 ' HB2' HD23 ' A' ' 98' ' ' LEU . 70.1 m-70 -135.0 90.05 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 19.8 mmtp -70.02 -0.64 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.1 mmm -80.94 4.34 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 101' ' ' HIS . 2.3 mp -136.38 116.14 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.45 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 26.9 mt-30 -130.43 149.95 51.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.81 -142.36 7.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.37 164.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.463 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -159.07 160.82 28.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.911 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.82 124.37 10.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 51.1 mtpt -55.14 -35.51 64.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.9 p -59.26 -11.91 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.471 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.4 m-85 -101.11 -18.66 16.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -100.41 131.02 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -100.49 107.04 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.583 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 51.8 mm -65.75 116.8 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -81.0 105.46 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -100.03 48.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.84 -50.03 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -123.55 -61.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.807 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -146.8 122.68 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -81.47 -48.37 5.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 29.0 t -35.21 -44.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 5' ' ' SER . 79.9 p -37.95 119.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.71 110.24 1.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -82.46 41.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -60.58 3.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tp -125.73 123.66 39.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.2 112.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 mt -87.28 42.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -130.52 98.07 4.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -66.57 -33.76 76.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.44 ' N ' HD12 ' A' ' 15' ' ' ILE . 4.7 mp -91.77 136.94 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -93.46 100.54 12.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 18' ' ' PRO . 56.9 mt -107.61 138.64 20.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.7 Cg_endo -69.74 137.31 35.21 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.28 . . . . 0.0 112.351 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -46.44 -41.94 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -117.43 156.74 48.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.75 137.58 35.81 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 160.15 50.78 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 105.58 1.51 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.73 2.286 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 25' ' ' PRO . 56.1 mt -39.82 138.68 1.02 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.83 179.29 3.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.347 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -82.71 112.57 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' LYS . 7.8 mt-10 -36.91 139.47 0.48 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.468 ' HD3' ' NE1' ' A' ' 93' ' ' TRP . 53.6 Cg_endo -69.8 155.3 66.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.3 p -132.15 174.56 10.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' TYR . 80.2 m-20 44.61 40.18 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' ASN . 65.3 m-85 -36.47 138.01 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.05 -55.79 19.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CD1' ' NH2' ' A' ' 95' ' ' ARG . 4.3 p90 -68.51 160.55 29.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.1 m -113.4 81.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.93 179.59 5.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -48.86 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -125.45 97.86 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 t -53.46 -43.34 68.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ILE . . . -173.48 -141.89 3.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.626 HD13 ' N ' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -34.79 130.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -142.94 131.67 22.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.25 -70.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -105.48 85.86 2.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.23 -179.61 18.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 m -76.05 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -124.32 -62.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.05 102.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -131.07 149.99 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.3 p -124.32 160.16 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.18 87.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.4 m -87.11 42.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -135.39 144.8 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.06 84.91 1.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.7 p -116.84 151.41 36.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.5 p -167.57 169.11 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.16 175.27 41.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -172.9 117.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 110.816 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp 60.7 40.85 15.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -52.42 155.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -93.38 160.03 14.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.859 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.4 t-160 -120.95 117.82 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.593 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -122.35 170.62 15.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.911 HG22 HG22 ' A' ' 83' ' ' VAL . 4.9 t -143.65 131.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 124.3 22.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 pt -106.35 -16.94 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -135.68 134.5 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -60.4 105.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -93.71 140.79 29.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -140.09 105.97 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -148.5 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.7 t -126.2 -46.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.67 157.61 19.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.552 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.81 153.58 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -2.95 7.41 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.372 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 10.2 mt-30 -71.62 128.84 37.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.93 139.23 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.9 p -78.17 163.07 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD21 HG11 ' A' ' 84' ' ' VAL . 16.5 mt -146.25 156.72 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -128.37 136.69 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.8 mt -51.41 132.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.26 11.75 68.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.61 133.44 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.911 HG22 HG22 ' A' ' 63' ' ' VAL . 62.1 t -98.73 146.07 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.688 HG11 HD21 ' A' ' 78' ' ' LEU . 27.6 m -134.42 143.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -82.99 103.03 12.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.7 mt -70.87 132.02 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -116.99 -33.78 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -148.99 163.2 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.436 HG23 ' CD1' ' A' ' 94' ' ' TYR . 11.0 m -140.68 122.52 15.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 27.4 t -115.48 130.7 56.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.99 -98.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 9.9 m-20 -123.17 51.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 71.7 m95 -156.74 132.88 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 13.6 m-85 -94.32 141.84 28.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 33' ' ' PHE . 4.7 ttt180 -112.81 138.09 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.2 -147.91 12.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 4.6 p90 -156.88 162.78 39.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 84' ' ' VAL . 10.2 tp -73.71 113.46 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 69.1 mt -53.65 -55.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.467 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 5.2 ptpt -52.38 -28.93 21.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -145.56 105.16 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 8.8 mtmm -84.33 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.423 ' N ' ' SD ' ' A' ' 103' ' ' MET . 3.0 mpp? -99.93 -7.33 25.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.478 HD12 ' N ' ' A' ' 104' ' ' LEU . 0.3 OUTLIER -126.85 105.82 8.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -115.82 150.82 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 165.75 -146.27 10.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 74' ' ' PRO . 37.5 pt -130.89 167.22 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -158.56 160.28 29.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.5 Cg_endo -69.78 128.74 16.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.684 2.256 . . . . 0.0 112.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 13.4 mtmt -59.42 -31.43 69.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.8 p -64.24 -8.69 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 11.8 m-85 -105.29 -18.32 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.665 HD11 ' CD1' ' A' ' 78' ' ' LEU . 40.5 mm -96.74 136.2 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -105.92 97.25 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.9 mm -69.05 104.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.488 ' NZ ' HG23 ' A' ' 63' ' ' VAL . 22.6 mtmt -84.03 94.15 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.61 72.59 10.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.1 m -74.85 -26.52 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -126.11 149.3 49.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.2 p 44.58 32.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.36 3.34 22.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -113.39 22.63 14.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -87.4 -56.27 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 51.75 -93.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 7' ' ' GLY . 30.1 ptt85 33.42 50.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 mt -101.49 -53.03 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.908 HD23 ' H ' ' A' ' 11' ' ' ASP . 0.9 OUTLIER -168.36 157.6 9.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.908 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -69.67 1.1 4.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -86.84 -49.05 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.38 83.98 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -115.8 -49.24 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mt -55.96 139.39 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.16 53.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.626 HG23 ' HD2' ' A' ' 18' ' ' PRO . 74.5 mt -102.83 138.01 19.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.1 Cg_endo -69.73 -165.07 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.744 2.296 . . . . 0.0 112.348 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.69 -26.02 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.45 153.69 81.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.57 0.7 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 145.61 57.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.529 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 53.9 Cg_endo -69.78 154.61 67.44 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 112.78 3.17 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 25' ' ' PRO . 62.1 mt -55.38 138.25 67.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.738 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.78 -177.98 2.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -80.37 142.91 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.2 141.11 95.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.674 0.749 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 53.6 Cg_endo -69.8 155.47 65.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 p -68.74 175.32 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -70.9 86.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 28' ' ' PRO . 57.6 m-85 -50.85 171.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -60.01 -26.75 66.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' O ' ' CD2' ' A' ' 33' ' ' PHE . 7.7 p90 -97.35 37.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 p -90.49 84.47 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.67 157.9 9.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.59 18.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.236 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.4 t -139.53 113.74 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.1 m -79.46 132.4 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.28 -56.19 0.92 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.0 pt -131.29 176.89 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -86.09 144.86 27.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 43' ' ' ARG . . . -77.99 -68.88 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 42' ' ' GLY . 6.9 tpp180 34.0 41.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.06 -117.21 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.4 p -70.28 140.49 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -68.9 -53.04 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.67 40.06 98.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.2 m -56.73 -50.97 70.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t 40.88 41.77 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.92 -177.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.7 m -138.8 145.74 40.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.3 p -145.26 158.14 43.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.49 80.79 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -88.38 -62.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.4 m 48.87 42.1 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.68 87.28 1.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -84.06 39.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.894 0.378 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -99.09 79.05 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -75.23 147.2 40.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.499 ' HB3' HD12 ' A' ' 86' ' ' ILE . 7.3 ttm-85 -91.56 154.18 19.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.783 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -104.02 121.79 43.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.455 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -127.27 165.6 20.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.788 HG22 HG22 ' A' ' 83' ' ' VAL . 15.4 t -141.27 127.19 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.56 127.87 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 pt -110.99 -15.48 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 29.8 m-85 -128.81 135.26 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -67.33 99.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -91.44 144.6 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -135.26 116.77 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.65 -165.89 21.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 -40.77 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 175.13 153.94 10.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.85 151.08 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.2 Cg_endo -69.79 -4.46 8.35 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.372 0.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.403 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 15.1 mt-30 -68.91 139.14 55.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.846 HD11 HD12 ' A' ' 104' ' ' LEU . 5.2 tp -129.15 147.33 50.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 99.0 p -85.61 158.01 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.514 HD21 HG11 ' A' ' 84' ' ' VAL . 20.0 mt -147.61 152.05 37.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -128.54 135.25 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.8 mt -47.56 128.44 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.88 18.17 41.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -111.97 144.09 41.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.788 HG22 HG22 ' A' ' 63' ' ' VAL . 83.9 t -111.17 134.5 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.666 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 33.0 m -123.98 143.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -81.13 105.69 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 60' ' ' ARG . 61.9 mt -76.34 127.26 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -114.56 -39.79 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -140.87 155.38 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.4 HG23 ' CD1' ' A' ' 94' ' ' TYR . 19.0 m -127.75 105.41 8.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLY . 23.8 m -107.51 129.76 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.48 -142.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.492 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 4.7 m-20 -81.15 42.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 52.0 m95 -151.71 143.14 23.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 15.6 m-85 -96.44 164.34 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 106' ' ' GLY . 9.9 tpt85 -127.42 118.56 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 177.27 -157.42 22.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -152.37 162.49 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 101' ' ' HIS . 19.8 tp -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.642 HD12 HG12 ' A' ' 83' ' ' VAL . 65.9 mt -56.25 -54.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -56.3 -32.12 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.83 ' HB2' HD23 ' A' ' 98' ' ' LEU . 38.5 m-70 -135.0 82.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.31 -3.87 9.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.545 ' HG3' HD23 ' A' ' 104' ' ' LEU . 7.9 ptp -66.26 -16.64 64.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.846 HD12 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -124.97 129.06 49.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -135.37 153.19 51.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 167.24 -143.61 8.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.1 pt -131.01 168.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -160.61 161.43 24.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.732 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 112' ' ' PHE . 53.6 Cg_endo -69.79 133.1 24.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 28.8 mtpt -63.01 -25.77 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.6 p -68.41 -11.06 59.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.8 m-85 -104.4 -17.85 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.473 HD11 ' CD1' ' A' ' 78' ' ' LEU . 51.2 mm -99.78 123.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -98.17 101.03 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.4 mm -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -85.49 99.48 11.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -97.09 48.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.1 m -89.66 -3.86 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -94.54 42.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -112.06 116.44 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 155.79 -48.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 68.0 m -36.27 133.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -152.27 171.92 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.91 -138.93 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 1.1 ptm85 38.28 44.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -152.36 122.15 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.64 HD13 ' N ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -48.67 135.48 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.64 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -175.19 112.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.3 mt -125.44 72.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -48.49 162.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -108.73 87.22 2.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.0 mp -75.74 136.72 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -82.19 96.05 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.562 HG23 ' HD2' ' A' ' 18' ' ' PRO . 50.1 mt -110.22 136.24 20.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.562 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.6 Cg_endo -69.77 145.16 56.24 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -57.33 -35.96 70.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.79 151.01 51.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.528 0.68 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.78 112.41 3.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 21' ' ' PRO . 53.7 Cg_endo -69.78 165.93 29.32 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -178.7 2.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 25' ' ' PRO . 4.8 mp -109.42 137.9 20.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 111.164 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.7 178.55 4.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.389 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -67.13 114.6 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -64.59 142.45 98.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.694 0.759 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 53.8 Cg_endo -69.72 125.59 12.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -115.09 48.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -129.68 -5.34 4.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -94.31 148.47 22.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -112.97 -51.03 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -38.79 154.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t 65.64 54.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.98 162.21 46.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 94.95 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.4 p -114.75 153.94 29.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -57.28 157.74 6.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.6 173.34 55.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.727 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.4 pp -108.99 18.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.319 . . . . 0.0 111.081 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -80.76 42.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.91 -154.72 47.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 54.7 40.97 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.39 -80.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.462 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.6 p -174.81 135.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.7 m -95.55 150.57 20.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.73 -122.94 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -173.28 119.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -64.05 143.9 57.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -101.88 164.74 17.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 t -108.63 82.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -51.55 158.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.28 -160.08 17.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 t -65.57 96.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.7 m -155.91 139.63 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.94 164.7 31.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -147.06 167.9 22.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -95.07 41.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -43.91 152.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -89.64 137.52 32.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.848 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -94.86 118.27 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.602 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -125.0 167.27 17.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.887 HG22 HG22 ' A' ' 83' ' ' VAL . 12.8 t -142.76 133.71 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.59 130.07 41.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.41 HG23 ' HB2' ' A' ' 114' ' ' HIS . 13.4 pt -109.64 -15.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -138.46 141.83 39.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.25 105.69 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -98.07 121.09 39.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -124.02 109.61 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.47 -153.3 26.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -118.27 -40.53 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.97 159.28 19.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.558 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.43 151.12 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.1 Cg_endo -69.77 -3.61 7.82 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.364 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 33.4 mt-30 -69.25 123.12 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.4 tp -109.64 140.07 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.8 p -75.85 154.87 35.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.449 HD21 HG11 ' A' ' 84' ' ' VAL . 20.7 mt -146.27 154.68 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -129.98 134.49 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.6 mt -47.37 128.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.26 17.5 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.59 131.77 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.887 HG22 HG22 ' A' ' 63' ' ' VAL . 48.9 t -96.75 142.08 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 29.6 m -132.46 134.32 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.448 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 15.0 mmt180 -76.26 99.99 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.4 mt -70.8 120.01 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -104.69 -41.94 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 89' ' ' THR . 4.4 tm-20 -137.88 156.79 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 88' ' ' GLU . 40.1 m -132.13 110.03 10.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.5 p -100.75 121.3 41.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.4 -121.74 2.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 0.6 OUTLIER -96.06 37.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 35.1 m95 -146.98 150.2 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 25.2 m-85 -100.57 169.27 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.637 HH11 ' N ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -139.58 115.29 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.637 ' N ' HH11 ' A' ' 95' ' ' ARG . . . -172.6 -152.57 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.543 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 4.6 p90 -153.54 161.27 42.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.3 tp -70.41 118.93 13.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.448 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.6 mt -64.23 -48.86 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 13.3 ptpt -58.49 -14.3 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 74.2 m80 -161.05 106.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 5.6 mmmm -75.15 1.79 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.9 mtm -76.92 1.99 16.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.438 HD12 ' N ' ' A' ' 104' ' ' LEU . 1.1 mp -135.48 130.52 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.445 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 37.6 mt-30 -147.88 148.9 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.454 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 165.91 -145.76 10.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.28 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -151.58 160.26 32.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.744 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.74 133.16 24.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 14.3 mtpp -63.2 -22.56 66.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.6 m -70.97 -10.0 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.501 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 16.4 m-85 -106.15 -13.6 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -100.02 134.86 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.41 ' HB2' HG23 ' A' ' 65' ' ' ILE . 78.3 t60 -105.89 96.29 6.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.427 HG22 ' HG3' ' A' ' 117' ' ' GLU . 32.4 mm -65.84 112.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -79.86 81.8 6.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.427 ' HG3' HG22 ' A' ' 115' ' ' ILE . 18.6 mt-10 -89.05 84.72 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.6 m -77.43 -19.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -128.49 176.15 7.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -118.55 -51.07 2.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.24 -46.42 1.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 56.25 49.3 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -72.44 176.89 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.88 89.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.24 153.53 8.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -147.74 115.19 6.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 2.3 mm? -117.51 135.06 54.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.489 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.73 108.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.94 53.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' CD ' HD12 ' A' ' 17' ' ' ILE . 7.9 pt-20 -76.2 157.78 32.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -121.12 1.0 10.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.02 145.98 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -67.4 88.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.665 HG23 ' HD2' ' A' ' 18' ' ' PRO . 78.7 mt -108.29 138.55 20.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.2 Cg_endo -69.72 -179.28 2.79 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.756 2.304 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.79 -42.18 91.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.41 149.54 17.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 125.31 11.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.59 18.62 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.356 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.3 Cg_endo -69.79 117.58 5.17 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.549 HG23 ' HD2' ' A' ' 25' ' ' PRO . 97.7 mt -34.26 135.41 0.37 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.732 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.79 119.18 6.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -35.1 110.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -34.62 145.98 0.16 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.687 0.756 . . . . 0.0 110.912 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD3' ' NE1' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.75 157.94 58.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.6 t -61.16 -174.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' SER . 7.4 p-10 -36.74 127.99 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.599 ' CE2' ' HG3' ' A' ' 74' ' ' PRO . 15.9 m-85 -70.23 136.64 50.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -36.7 -46.38 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.12 125.81 35.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -160.38 112.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.46 145.83 17.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -33.29 17.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.74 2.293 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.9 m -90.94 -43.08 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 t -72.51 98.13 2.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.25 73.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.55 178.26 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.51 162.71 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.95 169.91 39.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -96.84 87.87 4.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.18 153.86 48.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.2 m -147.75 175.93 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 m 60.24 43.59 13.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.46 162.35 27.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -86.21 134.59 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -115.2 112.86 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.19 125.67 0.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.9 m -114.65 101.86 9.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 m -127.73 142.63 51.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -112.75 84.89 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.1 t 51.23 43.17 29.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.5 p -90.15 88.37 7.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.93 89.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -89.52 -54.39 4.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -122.27 102.13 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.99 158.47 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -103.77 142.58 34.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.853 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.8 t-80 -93.23 119.36 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -124.02 165.15 16.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 83' ' ' VAL . 6.7 t -145.04 130.1 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -68.72 136.41 52.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.544 HG13 ' CD2' ' A' ' 66' ' ' TYR . 16.0 pt -114.11 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CD2' HG13 ' A' ' 65' ' ' ILE . 45.8 m-85 -135.48 136.46 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.84 105.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.96 141.7 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -138.13 113.6 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.17 -151.1 17.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.79 -43.48 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.18 162.59 24.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.5 150.94 0.15 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.599 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 53.4 Cg_endo -69.77 -3.33 7.65 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.348 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.416 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 56.3 mt-30 -71.23 130.95 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.5 tp -117.06 137.99 51.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.0 p -77.78 151.06 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.675 ' CD1' HD11 ' A' ' 113' ' ' ILE . 14.1 mt -140.13 155.73 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.488 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 38.6 mt-30 -129.79 146.94 51.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.5 mt -55.02 129.11 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.65 26.68 41.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.455 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.84 132.69 54.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 63' ' ' VAL . 84.9 t -102.72 134.95 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 98' ' ' LEU . 33.0 m -131.24 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.28 101.3 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.95 115.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.36 -43.3 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -132.62 163.57 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -144.7 124.92 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.7 t -123.53 124.24 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -118.17 1.67 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 t70 -103.68 42.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.581 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 45.1 m95 -152.0 138.62 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.47 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 34.2 m-85 -94.03 168.46 10.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' CZ ' HG23 ' A' ' 107' ' ' ILE . 13.6 tpp180 -142.52 116.08 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.38 -143.78 4.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.44 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 102' ' ' LYS . 3.6 p90 -157.88 164.43 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 84' ' ' VAL . 8.1 tp -74.8 113.1 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.641 HD12 HG12 ' A' ' 83' ' ' VAL . 53.2 mt -51.89 -55.05 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.51 ' HE3' HD21 ' A' ' 98' ' ' LEU . 16.9 pttt -55.57 -31.64 62.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -134.98 102.29 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 97' ' ' TYR . 11.8 mtpt -84.22 29.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 24.5 mtm -107.09 -6.36 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 104' ' ' LEU . 1.0 OUTLIER -126.87 109.77 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' A' ' 105' ' ' GLN . 12.8 mp0 -123.92 145.84 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.32 -144.37 7.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.459 HG23 ' CZ ' ' A' ' 95' ' ' ARG . 30.4 pt -131.4 161.98 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -155.96 159.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 132.61 23.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.47 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.2 mtpt -63.49 -24.49 67.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -68.34 -10.86 57.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.4 m-85 -106.42 -16.16 14.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.675 HD11 ' CD1' ' A' ' 78' ' ' LEU . 47.7 mm -100.39 137.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -113.71 108.07 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mm -67.25 112.39 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -63.63 146.31 54.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -158.75 106.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.19 -19.23 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -133.1 42.94 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -132.03 109.23 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.47 119.64 1.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.544 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -62.79 105.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -159.99 141.41 12.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.21 42.94 0.95 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -133.4 126.63 31.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.68 -60.1 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.32 156.02 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.24 112.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -124.23 74.74 1.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -112.58 41.68 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -67.44 -60.22 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 17' ' ' ILE . 77.4 mt -41.08 139.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -98.31 42.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 18' ' ' PRO . 68.6 mt -114.56 138.26 23.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.0 Cg_endo -69.75 167.11 25.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.55 -36.71 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.75 147.66 42.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.77 119.85 6.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.38 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.72 168.26 22.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 114.56 3.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 25' ' ' PRO . 62.0 mt -43.19 138.6 2.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.4 Cg_endo -69.8 179.34 3.78 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.303 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.97 108.06 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HA ' ' CE2' ' A' ' 93' ' ' TRP . 1.2 pp20? -42.37 151.36 0.36 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.683 0.754 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 108.74 2.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.5 p -78.86 48.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -173.71 105.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 74' ' ' PRO . 9.3 m-85 -94.28 118.62 31.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -132.13 39.53 3.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -130.17 32.47 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.5 p -156.57 143.61 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.06 146.0 32.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 142.24 47.63 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 t -116.92 150.63 38.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -157.47 165.39 35.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.49 17.67 61.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.7 pt -127.2 175.24 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -138.95 123.75 18.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.28 176.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -65.54 149.84 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.77 71.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 m -155.3 171.63 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.844 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -158.97 136.92 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.03 -128.85 37.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t 57.17 41.63 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.2 p -174.51 154.03 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.47 -149.74 21.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.0 m -85.16 48.37 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 t -39.88 -43.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.24 141.51 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.449 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 t -165.54 147.92 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.2 p -96.33 119.59 35.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.21 81.14 1.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -73.62 80.91 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -116.28 41.83 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -72.82 165.2 25.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -106.2 149.07 27.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.828 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -103.4 117.86 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.58 167.6 15.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 HG22 ' A' ' 83' ' ' VAL . 16.6 t -143.08 127.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.67 128.7 37.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.482 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.4 pt -105.69 -28.34 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.482 ' CD2' HG13 ' A' ' 65' ' ' ILE . 64.8 m-85 -121.4 138.41 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -63.7 116.13 5.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 109' ' ' PRO . 40.8 t80 -104.9 141.92 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -129.0 120.93 26.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.22 -174.44 18.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -117.01 -39.89 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.17 156.88 12.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.537 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.73 151.91 0.11 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.532 0.682 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.77 -5.24 8.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.312 -0.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.84 147.24 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.924 HD11 HD12 ' A' ' 104' ' ' LEU . 9.6 tp -134.68 144.58 47.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.8 p -81.38 160.85 23.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.843 HD21 HG11 ' A' ' 84' ' ' VAL . 18.1 mt -151.2 154.54 37.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -127.05 132.81 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -44.66 124.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.84 24.89 24.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.539 ' OD1' HD22 ' A' ' 78' ' ' LEU . 1.5 p30 -109.78 140.61 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.828 HG11 ' NE2' ' A' ' 61' ' ' HIS . 80.6 t -105.49 113.98 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.843 HG11 HD21 ' A' ' 78' ' ' LEU . 28.3 m -113.73 130.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.463 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 6.1 mmt180 -72.18 110.48 6.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.87 123.58 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -110.25 -41.01 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -138.06 160.51 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.0 m -138.94 117.94 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 19.3 p -111.69 123.98 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.75 -110.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.495 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 3.5 t0 -109.59 41.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 38.5 m95 -148.53 135.82 20.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 13.5 m-85 -94.02 154.91 17.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.59 133.59 55.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.05 -152.64 15.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 5.5 p90 -158.18 159.32 36.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.6 tp -66.9 115.48 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.668 HD12 HG12 ' A' ' 83' ' ' VAL . 29.4 mt -63.01 -55.25 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 3.8 ptmm? -49.15 -18.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 97.8 m-70 -162.36 106.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 mtmm -82.99 31.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.495 ' N ' ' SD ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -91.42 -10.61 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.899 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.924 HD12 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -138.04 132.95 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -136.43 160.69 38.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.83 -147.96 14.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 37.0 pt -126.06 168.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.46 161.49 25.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.583 ' HD3' ' CE2' ' A' ' 68' ' ' PHE . 54.0 Cg_endo -69.73 135.08 29.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . 2.7 mtmp? -63.61 -36.62 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -59.36 -10.74 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.49 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.0 m-85 -101.93 -22.25 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.9 mm -94.98 132.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.431 ' HB2' HG23 ' A' ' 65' ' ' ILE . 75.3 t60 -104.17 101.79 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.436 HG22 ' HG3' ' A' ' 117' ' ' GLU . 45.2 mm -68.82 106.64 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -91.52 92.51 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 115' ' ' ILE . 22.4 mt-10 -88.6 86.69 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.7 m -90.26 -2.3 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -97.16 120.29 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -138.58 174.95 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.56 -93.78 2.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -125.65 -54.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m 52.11 40.76 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.12 127.19 8.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -100.97 118.21 36.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -92.32 92.42 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.66 168.05 9.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.29 112.54 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -95.31 39.33 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -45.39 162.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 59.22 38.43 23.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.6 mp -46.85 146.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -76.48 57.36 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.669 HG23 ' HD2' ' A' ' 18' ' ' PRO . 86.3 mt -82.24 138.46 45.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.2 Cg_endo -69.75 169.04 19.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -58.63 -44.23 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -145.83 155.34 52.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.698 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.4 Cg_endo -69.79 130.66 19.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.05 17.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.78 120.31 7.11 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' A' ' 25' ' ' PRO . 89.2 mt -37.44 133.19 0.78 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.59 0.71 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 26' ' ' LYS . 53.6 Cg_endo -69.77 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.634 2.223 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 25' ' ' PRO . 2.6 tttp -32.79 135.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -94.27 141.2 23.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 125.76 12.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.3 p -87.81 167.45 13.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 31' ' ' TYR . 5.3 m-20 44.84 46.67 8.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ASN . 75.4 m-85 -35.8 126.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -118.37 -51.4 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CG ' ' N ' ' A' ' 34' ' ' SER . 4.1 p90 -39.94 -39.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.407 ' N ' ' CG ' ' A' ' 33' ' ' PHE . 22.8 t -133.14 106.24 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.93 175.11 23.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' SER . 53.7 Cg_endo -69.75 -1.09 7.87 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.376 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . 94.8 p -34.44 120.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.6 t -97.16 149.88 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.67 -59.59 5.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.9 pt -145.73 176.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -108.09 112.36 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.83 -80.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' GLY . 2.0 mpt_? -97.74 -55.84 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' ARG . . . 34.63 47.73 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.0 m -86.89 41.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 t -110.49 126.15 54.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -177.1 -93.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.546 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' GLY . 37.5 m 34.83 42.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p -71.89 143.11 49.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.57 -48.93 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.2 p -137.61 170.07 16.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -121.18 87.84 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.43 -119.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 76.3 p -114.4 133.74 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -129.83 178.31 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.01 -139.0 5.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -117.04 49.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -102.31 37.89 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG2' ' NH2' ' A' ' 85' ' ' ARG . 54.1 mp0 -67.66 172.73 4.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -132.48 137.48 47.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.62 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.1 t-80 -101.11 117.79 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -118.83 169.59 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.572 HG23 ' HD2' ' A' ' 116' ' ' LYS . 6.4 t -144.08 130.0 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.488 ' CB ' ' OD2' ' A' ' 82' ' ' ASP . . . -68.44 135.99 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.535 HG13 ' CD2' ' A' ' 66' ' ' TYR . 3.7 pt -118.19 -29.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.581 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 57.3 m-85 -117.63 135.06 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 67' ' ' ASN . 4.5 p-10 -65.45 100.42 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 69' ' ' GLN . 49.2 t80 -91.09 157.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' C ' ' CD ' ' A' ' 69' ' ' GLN . 3.6 pp0? -129.18 141.47 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.84 164.65 23.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 t -114.49 -31.71 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 166.91 148.56 5.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.55 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -39.26 152.3 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.71 -3.59 7.72 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.335 -0.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.411 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 32.1 mt-30 -72.66 128.13 34.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.672 HD11 HD12 ' A' ' 104' ' ' LEU . 4.0 tp -121.01 141.68 50.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.8 p -79.1 163.77 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG11 ' A' ' 84' ' ' VAL . 18.6 mt -148.33 155.35 41.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -129.04 132.77 47.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -46.22 126.47 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.87 27.32 26.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.488 ' OD2' ' CB ' ' A' ' 64' ' ' ALA . 1.5 p30 -110.0 141.32 42.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 99' ' ' ILE . 72.7 t -107.27 110.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.743 HG11 HD21 ' A' ' 78' ' ' LEU . 25.5 m -106.41 143.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.485 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 3.1 mmm180 -83.49 115.55 22.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.35 116.71 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -104.1 -35.36 8.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -143.16 170.77 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.9 m -146.02 124.64 12.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 11.6 t -120.36 130.65 54.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.86 -121.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 63.2 m-20 -97.53 42.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.542 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 67.6 m95 -151.44 144.5 24.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 16.4 m-85 -95.98 174.38 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -135.99 121.77 19.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.42 -157.09 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 2.5 p90 -155.22 176.52 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.925 0.393 . . . . 0.0 110.927 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.462 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 11.7 tp -77.35 112.73 14.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.935 HD12 HG12 ' A' ' 83' ' ' VAL . 51.0 mt -59.38 -51.67 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 15.4 ptmt -54.56 -18.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 100' ' ' LYS . 79.8 m-70 -156.65 105.53 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 26.2 mtmt -84.26 30.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.444 ' N ' ' SD ' ' A' ' 103' ' ' MET . 0.9 OUTLIER -92.69 -10.73 36.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.672 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -137.34 128.73 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -134.65 156.91 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.18 -142.07 7.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.6 pt -134.13 161.02 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.655 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -152.94 161.05 30.11 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.8 Cg_endo -69.76 131.76 21.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.292 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 15.3 mtpp -62.71 -25.11 68.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.0 p -67.85 -11.29 58.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.3 m-85 -104.17 -17.06 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.429 HD11 ' CD1' ' A' ' 78' ' ' LEU . 43.3 mm -100.56 128.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -101.4 100.89 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.48 113.25 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.572 ' HD2' HG23 ' A' ' 63' ' ' VAL . 25.3 mtpt -82.87 135.78 34.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -122.61 74.69 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.0 m -69.27 -18.94 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -66.1 157.5 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -146.12 172.5 13.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.08 106.8 3.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -92.77 109.39 20.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -126.49 42.71 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.4 -175.49 54.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 61.17 43.37 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mp -103.7 40.2 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 6.1 tp -89.25 113.04 24.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.71 109.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.11 64.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -130.39 37.64 3.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -111.39 -46.42 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 17' ' ' ILE . 5.3 mp -89.97 138.93 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -122.12 46.19 2.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.662 HG23 ' HD2' ' A' ' 18' ' ' PRO . 85.7 mt -102.51 138.26 19.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.0 Cg_endo -69.71 158.53 56.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -35.04 76.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.65 150.01 63.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.57 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.2 Cg_endo -69.82 129.49 17.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 165.25 31.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 114.14 3.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.264 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.1 mt -43.02 129.81 3.25 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.465 ' O ' ' C ' ' A' ' 26' ' ' LYS . 53.6 Cg_endo -69.79 119.85 6.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.635 2.224 . . . . 0.0 112.355 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 25' ' ' PRO . 0.1 OUTLIER -32.8 100.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -44.4 143.36 2.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.66 0.743 . . . . 0.0 110.844 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.51 65.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -59.84 145.77 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -41.22 99.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -53.26 169.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -90.21 81.46 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -97.67 -65.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 m -77.15 47.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.94 -173.01 40.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 166.56 27.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.8 m -122.44 91.77 3.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.7 t -161.3 133.56 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.94 102.15 2.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.94 109.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -164.92 149.43 9.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.43 132.17 0.33 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -73.79 122.04 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.11 -142.74 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.0 p -108.49 136.39 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -70.78 -51.64 25.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -170.04 -141.92 3.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.5 m -100.36 174.82 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -151.38 135.05 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.98 157.24 51.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 m -153.44 130.76 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.6 p -104.68 109.99 22.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.42 -159.43 9.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.0 p -109.02 112.79 25.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.922 0.392 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.2 p -63.81 126.48 27.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.69 161.69 0.86 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -113.39 -60.62 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.34 84.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.1 156.49 31.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -95.89 151.41 19.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.622 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -103.32 121.48 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -128.06 166.2 20.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 83' ' ' VAL . 14.5 t -142.29 132.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.1 128.19 35.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.6 pt -106.83 -13.37 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 52.1 m-85 -136.32 142.31 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -70.48 101.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -89.45 154.2 20.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -134.82 126.15 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.14 172.63 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -105.39 -37.3 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 168.17 157.48 11.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.8 150.19 0.14 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.78 -4.33 8.26 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.359 0.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -68.96 143.16 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.67 HD11 HD12 ' A' ' 104' ' ' LEU . 12.5 tp -132.69 139.98 47.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 p -78.25 164.17 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.755 HD21 HG11 ' A' ' 84' ' ' VAL . 35.9 mt -153.66 153.12 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -129.86 134.71 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.2 mt -44.97 134.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.02 20.06 63.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.23 142.68 43.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 63' ' ' VAL . 95.9 t -107.03 140.48 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.755 HG11 HD21 ' A' ' 78' ' ' LEU . 33.8 m -130.52 131.28 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -71.59 101.68 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.53 113.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.14 -42.5 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -137.03 173.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.3 m -146.12 115.67 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 73.7 m -114.3 129.48 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.78 -127.92 5.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.44 30.81 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.7 m95 -139.55 146.01 39.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 26.8 m-85 -93.91 176.95 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -138.81 121.84 16.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.34 -158.01 24.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.8 p90 -151.19 164.17 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.2 tp -69.76 114.67 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.8 mt -60.23 -54.68 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 14.9 ptmt -51.95 -16.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 91.9 m-70 -159.58 105.35 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.577 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 8.8 mtpm? -84.2 30.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 47.6 mmm -95.01 -10.75 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.67 HD12 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -133.94 113.73 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -121.97 143.3 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.02 -143.12 6.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 pt -131.26 167.43 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.367 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.6 OUTLIER -159.42 161.38 27.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 110.873 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.3 Cg_endo -69.72 134.82 28.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 3.1 mtpm? -66.49 -24.89 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.8 p -67.62 -11.3 57.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 7.2 m-85 -104.2 -21.29 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.63 133.28 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -104.62 102.77 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.22 103.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -91.72 87.42 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -97.88 50.85 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.6 t -75.05 -60.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -163.01 154.16 17.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -120.08 -39.64 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.61 177.9 36.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.1 m -96.39 82.77 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 5' ' ' SER . 28.5 m -35.32 -50.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.72 169.68 33.26 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -40.8 150.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 tp -144.06 121.71 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.687 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -111.39 178.39 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.499 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.76 108.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -77.72 -51.68 10.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 67.16 45.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -104.32 -32.64 8.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 16' ' ' GLN . 2.1 mp -115.72 165.64 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.497 ' N ' HG22 ' A' ' 15' ' ' ILE . 33.6 mt-30 -81.87 43.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.635 HG23 ' HD2' ' A' ' 18' ' ' PRO . 82.5 mt -107.71 138.25 19.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.5 Cg_endo -69.78 168.58 21.18 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.34 -37.73 74.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.98 148.42 54.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.39 50.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.07 17.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ILE . 54.5 Cg_endo -69.76 108.25 2.04 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 25' ' ' PRO . 68.6 mt -34.68 138.7 0.33 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.78 119.34 6.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -35.1 138.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -44.78 142.49 2.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 150.22 67.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.311 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 t -62.42 -177.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' TYR . 38.0 p-10 -38.96 99.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' ASN . 24.2 m-85 -37.75 139.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.02 -48.5 73.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -83.03 87.48 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -90.92 -59.58 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.39 156.36 8.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -46.1 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t -173.24 108.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.0 m -130.14 164.89 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -145.37 100.98 0.23 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.3 pt -80.61 -8.5 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 56.24 44.17 25.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.31 -127.73 38.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -89.3 144.74 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 172.74 -107.82 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -147.89 157.22 43.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.6 p -109.15 155.08 21.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.19 -123.7 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 p 39.87 45.95 1.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.378 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.1 m -60.15 151.92 25.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.92 -43.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -58.26 118.63 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.7 p -80.03 174.06 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.59 -117.1 2.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t 64.03 41.38 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.2 p -84.03 -54.49 4.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.25 154.21 10.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.58 43.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -115.01 77.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -110.46 156.61 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -118.88 144.36 46.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.855 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -92.14 127.58 37.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.842 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -135.05 170.85 22.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 83' ' ' VAL . 14.5 t -144.29 129.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.12 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.49 127.35 32.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.1 pt -107.34 -32.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.458 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 25.9 m-85 -114.97 127.59 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -58.53 115.19 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -105.95 135.12 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -118.32 118.5 31.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.39 173.99 16.93 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -109.3 -43.49 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.94 152.43 10.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.03 151.91 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.76 -5.74 9.04 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.358 0.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.39 137.37 52.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 4.5 tp -127.38 142.38 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -80.34 160.88 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.641 HD21 HG11 ' A' ' 84' ' ' VAL . 21.0 mt -148.93 155.56 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -129.57 134.73 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -48.43 133.84 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.42 15.67 65.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.75 130.28 55.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 63' ' ' VAL . 58.8 t -95.31 139.73 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.641 HG11 HD21 ' A' ' 78' ' ' LEU . 28.0 m -127.35 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -77.19 109.79 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 52.9 mt -80.27 128.23 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -115.98 -35.44 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 89' ' ' THR . 31.0 tp10 -146.24 150.94 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 52.6 m -133.76 122.37 23.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.83 137.34 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.3 -118.36 1.64 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' C ' ' HG3' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -111.01 40.07 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 0.0 110.83 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -145.22 137.58 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 10.6 m-85 -94.87 157.31 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' GLU . 26.0 tpt85 -120.74 134.44 55.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.09 -148.72 15.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 102' ' ' LYS . 4.6 p90 -155.7 177.66 11.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.597 HD23 ' HB2' ' A' ' 101' ' ' HIS . 10.1 tp -84.79 112.94 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.623 ' CD1' HG12 ' A' ' 83' ' ' VAL . 29.9 mt -55.36 -43.73 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 ptpt -68.77 -34.51 75.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.597 ' HB2' HD23 ' A' ' 98' ' ' LEU . 98.4 m-70 -135.02 73.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -46.55 -34.84 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.605 ' C ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -43.29 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.64 ' N ' HD23 ' A' ' 104' ' ' LEU . 1.3 mt -103.55 116.12 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -136.91 135.18 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.7 -143.49 5.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.415 HG22 ' HD2' ' A' ' 95' ' ' ARG . 22.7 pt -128.57 156.73 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' CD1' HG13 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -152.34 160.21 31.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 112' ' ' PHE . 53.3 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.512 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 9.2 mtmt -59.96 -36.25 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 t -59.9 -10.59 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.519 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 4.0 m-85 -102.26 -24.74 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.446 HG13 ' CD1' ' A' ' 108' ' ' PHE . 48.4 mm -94.49 130.92 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -105.27 110.24 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 117' ' ' GLU . 41.8 mm -65.63 119.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.23 44.56 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.504 ' HB2' HG22 ' A' ' 115' ' ' ILE . 17.5 tp10 -77.01 61.27 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.7 m -87.84 -8.13 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -140.01 150.14 44.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -78.55 175.07 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.66 80.38 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -174.58 153.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m -129.42 89.41 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.57 152.08 0.82 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -106.72 34.25 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -112.61 45.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.03 172.57 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.5 t70 -82.67 -75.67 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' O ' HD23 ' A' ' 12' ' ' LEU . 1.9 tt 36.28 52.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -100.51 42.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -119.8 -61.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.437 HG22 ' H ' ' A' ' 17' ' ' ILE . 11.0 mt -75.15 146.08 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.36 53.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.677 HG23 ' HD2' ' A' ' 18' ' ' PRO . 81.7 mt -106.25 138.66 19.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.616 0.722 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.9 Cg_endo -69.73 -175.48 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.362 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -78.21 -44.02 26.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.804 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -130.79 167.81 19.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.53 0.681 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.804 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.79 127.08 14.06 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 168.22 22.16 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.23 18.94 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.675 HG23 ' HD2' ' A' ' 25' ' ' PRO . 48.8 mt -65.35 138.57 97.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.9 Cg_endo -69.74 177.19 5.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -84.97 134.04 34.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' LYS . 49.3 mt-10 -34.77 150.35 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.4 65.17 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.1 p -55.61 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -41.78 136.94 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -81.79 140.83 33.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -73.55 -60.03 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -53.53 115.82 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -120.86 121.44 38.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.59 147.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -28.03 25.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.62 2.213 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' SER . 39.1 m -149.55 152.06 34.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.5 m -37.32 -43.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.38 133.4 11.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 40' ' ' ILE . 2.7 pp -135.44 147.15 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.89 -43.79 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.36 -137.56 2.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -62.89 -55.57 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.77 132.08 2.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.2 p -91.65 55.61 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.0 t 43.09 42.94 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.16 123.06 3.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.0 t -88.06 -52.95 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -98.42 162.6 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.78 47.54 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.0 p -164.57 114.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -159.77 141.29 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.01 -42.77 1.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -74.95 109.42 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -160.0 121.61 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.11 67.03 2.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -132.15 132.19 42.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -62.65 95.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -104.68 -179.67 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.607 ' HG2' HD12 ' A' ' 115' ' ' ILE . 1.6 tpm_? -93.87 138.42 32.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.733 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -101.31 117.97 36.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.645 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.19 165.99 15.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 83' ' ' VAL . 5.8 t -144.07 134.82 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.124 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 132.47 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.442 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 22.1 pt -111.11 -14.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.578 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 24.3 m-85 -140.17 139.97 35.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.69 103.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -90.3 140.56 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -129.69 110.03 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.88 -156.86 26.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.2 m -127.64 -46.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.65 158.52 22.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.16 155.08 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.76 -2.58 7.21 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.367 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.46 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 7.9 mt-30 -68.77 145.36 53.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -131.21 144.18 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.6 p -82.22 159.27 23.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.447 HD21 HG11 ' A' ' 84' ' ' VAL . 24.1 mt -145.18 154.64 42.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -129.55 132.5 46.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.5 mt -45.63 131.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.32 61.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.88 133.45 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 63' ' ' VAL . 84.1 t -99.34 135.01 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.447 HG11 HD21 ' A' ' 78' ' ' LEU . 21.1 m -123.63 139.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.474 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 18.7 mmm-85 -80.52 102.19 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.93 116.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -101.25 -35.44 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.59 174.02 12.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.2 m -142.58 116.81 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.24 108.01 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.4 -126.45 11.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.594 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 65.7 m-20 -89.18 42.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 65.8 m95 -156.29 136.16 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 22.0 m-85 -93.49 163.4 13.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.889 ' HG2' HG22 ' A' ' 107' ' ' ILE . 1.4 mtp-105 -124.34 161.25 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.65 21.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 3.0 p90 -157.09 173.76 16.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 9.8 tp -78.26 115.36 17.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.601 HD12 HG12 ' A' ' 83' ' ' VAL . 53.8 mt -58.75 -44.0 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.468 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -66.9 -13.21 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -157.54 105.42 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -82.95 7.89 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -132.07 130.61 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 29.5 mt-30 -143.35 151.91 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 168.24 -144.63 8.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.889 HG22 ' HG2' ' A' ' 95' ' ' ARG . 33.5 pt -124.85 154.44 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' A' ' 84' ' ' VAL . 0.6 OUTLIER -144.93 160.22 47.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.915 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.0 Cg_endo -69.78 141.98 46.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.54 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 19.4 mtpp -73.19 -20.62 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.2 m -75.41 -5.88 47.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.3 m-85 -111.25 -11.91 14.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.45 133.88 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -113.5 102.23 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.607 HD12 ' HG2' ' A' ' 60' ' ' ARG . 21.9 mm -64.7 103.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -54.76 128.22 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -122.48 88.08 2.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 118' ' ' VAL . 3.3 m -87.65 -25.88 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 84.9 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -119.25 177.86 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -125.63 155.57 40.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.04 -46.24 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -83.25 -50.35 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 p -40.48 154.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.61 112.23 2.23 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.562 ' C ' HD12 ' A' ' 9' ' ' LEU . 2.4 ptm85 -93.28 163.1 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.562 HD12 ' C ' ' A' ' 8' ' ' ARG . 5.1 mp -144.29 121.36 11.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.88 36.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.38 112.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -82.45 38.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -101.05 46.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -119.22 -56.32 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.527 HG21 HD12 ' A' ' 17' ' ' ILE . 47.0 mm -88.82 138.99 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -94.32 36.91 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 18' ' ' PRO . 88.1 mt -105.05 138.6 19.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.742 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.5 Cg_endo -69.77 177.89 5.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -87.86 -42.65 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -111.46 160.01 30.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.81 110.4 2.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 161.02 47.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 113.66 3.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.68 HG23 ' HD2' ' A' ' 25' ' ' PRO . 59.6 mt -41.47 138.55 1.58 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.719 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.72 177.18 5.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.335 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -62.2 145.04 54.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -85.12 144.31 41.05 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 94.11 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 m -79.42 48.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -175.1 104.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 74' ' ' PRO . 22.2 m-85 -94.01 157.88 15.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.14 -34.68 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' SER . 9.5 m-85 -38.65 -52.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' PHE . 89.5 p 34.73 52.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.97 -159.92 19.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -2.29 9.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.3 m -40.62 -42.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -47.85 150.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.69 -71.29 0.96 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 pt -129.67 -178.74 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.15 173.02 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.78 -97.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -84.88 40.35 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.1 150.54 16.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.3 t -111.96 139.83 47.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -157.97 156.74 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.53 94.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -122.48 171.22 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -132.04 170.47 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.6 76.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 m -76.46 125.89 30.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -155.54 106.71 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.07 92.71 0.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -166.94 177.97 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.3 m -143.71 143.86 31.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.86 73.08 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -131.15 125.78 33.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.31 90.48 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -91.03 178.16 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -93.38 150.73 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.699 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.1 t-80 -107.59 122.29 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.871 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -125.94 165.3 19.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 83' ' ' VAL . 15.5 t -144.02 127.22 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.65 126.81 29.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.479 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.3 pt -102.88 -26.39 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CD2' HG13 ' A' ' 65' ' ' ILE . 65.2 m-85 -125.11 132.36 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -59.56 110.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -97.32 131.33 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.58 107.24 10.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.35 -161.42 30.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.2 m -121.85 -48.79 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.69 153.48 17.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.33 154.63 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.82 -2.25 7.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.319 0.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.465 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 33.3 mt-30 -70.56 122.13 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.838 HD11 HD12 ' A' ' 104' ' ' LEU . 7.8 tp -109.4 142.61 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -79.84 159.76 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.534 HD21 HG11 ' A' ' 84' ' ' VAL . 18.0 mt -148.41 156.53 42.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -130.02 137.68 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 99.2 mt -49.17 130.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.66 56.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -112.0 140.23 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 63' ' ' VAL . 46.0 t -107.16 140.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.718 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 28.7 m -127.53 130.94 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -68.02 99.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.84 113.57 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -97.11 -42.13 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -141.02 172.5 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 m -140.77 134.16 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 m -136.14 136.62 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.02 -120.01 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.522 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 26.4 t0 -109.84 38.99 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.531 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.9 m95 -148.12 144.14 27.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 23.2 m-85 -93.98 160.22 14.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -126.6 111.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.94 -145.8 4.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.482 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 3.1 p90 -158.03 172.21 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 101' ' ' HIS . 11.8 tp -77.99 119.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.0 mt -61.81 -53.27 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.62 -32.23 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.656 ' HB2' HD23 ' A' ' 98' ' ' LEU . 44.5 m80 -135.0 91.36 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.482 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 23.0 mttp -82.17 37.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.477 ' HA ' ' HE3' ' A' ' 103' ' ' MET . 0.0 OUTLIER -104.7 -6.66 20.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -139.9 121.44 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -120.95 151.95 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.5 -141.24 5.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.447 HG22 ' HG2' ' A' ' 95' ' ' ARG . 31.3 pt -136.06 166.59 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.376 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.718 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -159.04 161.23 28.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.0 Cg_endo -69.7 127.74 15.07 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 56.0 mtpt -59.19 -31.21 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.8 m -63.31 -10.56 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.6 m-85 -103.23 -18.32 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.8 128.66 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -98.05 100.96 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.469 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 22.3 mm -69.39 100.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -66.44 81.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -113.06 50.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 119' ' ' THR . 18.3 m -68.28 -35.66 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 118' ' ' VAL . 11.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -130.89 168.45 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 4' ' ' GLY . 56.7 m -111.64 169.06 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.35 142.73 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -88.38 33.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -109.72 -47.76 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 36.89 83.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.51 11.01 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 mt -76.02 -33.39 59.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -146.85 165.6 29.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.976 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.36 -75.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mt -121.64 41.71 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 10' ' ' LEU . 5.4 mm-40 -58.8 102.87 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -42.68 -46.61 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.578 ' H ' HD12 ' A' ' 15' ' ' ILE . 5.3 mp -71.25 140.31 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -118.36 76.37 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 18' ' ' PRO . 83.5 mt -52.48 138.53 39.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.2 Cg_endo -69.78 174.32 9.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -77.63 -38.69 47.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.89 150.76 59.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.611 0.72 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 131.38 21.1 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 168.61 20.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.374 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.02 2.45 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.669 HG23 ' HD2' ' A' ' 25' ' ' PRO . 61.1 mt -44.47 138.38 3.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 0.0 111.19 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.72 -178.93 2.56 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -89.53 134.01 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -67.61 139.46 94.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.552 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 53.2 Cg_endo -69.79 121.5 8.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.305 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 t -81.32 155.01 26.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 64.73 49.04 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 2.6 m-85 -117.82 35.94 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -76.94 73.87 3.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 1.5 p90 -128.24 37.98 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 t -111.66 -57.91 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.79 -164.8 11.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.23 27.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -105.11 146.65 28.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -162.37 144.92 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.0 161.28 24.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.651 HD12 ' C ' ' A' ' 40' ' ' ILE . 2.0 pp -80.44 -5.99 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -90.75 44.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.69 142.8 8.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -50.85 -47.81 60.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.46 -131.83 2.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -120.43 164.4 16.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -112.66 -44.8 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.77 -129.3 6.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -147.85 172.96 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 t -169.61 163.01 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -165.06 173.9 40.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.9 m -136.36 170.78 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -133.46 171.71 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.88 -170.59 15.37 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -164.97 151.41 10.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -144.49 148.39 34.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . . . -80.39 52.8 4.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' GLY . 3.8 m-20 36.75 41.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -127.78 85.96 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -108.04 154.1 22.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -110.82 138.3 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.677 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -93.95 119.64 33.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.492 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -128.51 167.73 20.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.874 HG22 HG22 ' A' ' 83' ' ' VAL . 10.8 t -141.12 130.71 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 132.67 47.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.4 pt -111.32 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -128.59 137.72 51.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.92 110.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -107.07 126.31 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -113.25 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.77 -179.56 49.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t -116.58 -36.03 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.86 150.01 6.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.82 153.71 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.627 0.727 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.72 -3.6 7.73 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.363 -0.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.435 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 27.7 mt-30 -70.97 127.88 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.94 HD11 HD12 ' A' ' 104' ' ' LEU . 8.4 tp -117.73 138.59 51.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.4 p -77.67 165.84 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 113' ' ' ILE . 17.7 mt -150.32 157.71 43.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.15 134.96 48.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -48.33 131.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.91 21.43 59.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.04 136.24 51.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.874 HG22 HG22 ' A' ' 63' ' ' VAL . 86.4 t -100.11 134.89 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.663 HG11 HD21 ' A' ' 78' ' ' LEU . 28.4 m -122.63 138.25 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.33 96.08 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 119.41 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -105.09 -40.22 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.5 149.99 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.5 m -132.9 115.28 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 5.8 t -122.82 136.75 54.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.48 -135.29 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.423 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 3.7 m-20 -96.61 41.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.426 ' CZ2' ' HG2' ' A' ' 25' ' ' PRO . 65.9 m95 -151.74 143.44 23.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 19.7 m-85 -93.87 170.71 9.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.64 114.26 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.93 -145.44 5.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.44 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.465 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 p90 -157.02 164.5 37.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.55 HD12 HG12 ' A' ' 84' ' ' VAL . 9.2 tp -73.62 112.72 9.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.745 HD12 HG12 ' A' ' 83' ' ' VAL . 52.8 mt -53.63 -54.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.461 ' HD3' HD21 ' A' ' 98' ' ' LEU . 1.3 ptmm? -52.11 -35.72 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -133.27 101.78 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -80.25 4.91 16.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 34.5 mtm -76.51 -5.85 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.94 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.56 137.09 39.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.405 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 15.8 mt-30 -147.29 139.0 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -179.17 -147.08 7.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.0 pt -126.22 157.35 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 111.107 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.544 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -148.88 161.15 33.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.8 Cg_endo -69.77 124.18 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 5.8 mtpm? -56.82 -23.86 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 m -68.88 -10.97 59.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 9.1 m-85 -105.22 -16.99 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.702 HD11 ' CD1' ' A' ' 78' ' ' LEU . 48.1 mm -98.01 135.69 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -110.7 102.65 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.78 HG22 ' H ' ' A' ' 117' ' ' GLU . 17.6 mm -69.28 119.64 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.498 ' HD2' HG23 ' A' ' 63' ' ' VAL . 15.2 mtpp -86.1 12.21 10.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.78 ' H ' HG22 ' A' ' 115' ' ' ILE . 5.3 tp10 33.5 50.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.487 HG12 ' HB3' ' A' ' 61' ' ' HIS . 12.7 p -96.34 -43.28 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.471 ' N ' HG13 ' A' ' 118' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m 59.94 41.93 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m -92.8 -50.79 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.06 -109.51 3.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -103.93 165.65 10.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -65.64 146.13 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.36 118.35 8.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -143.09 136.26 28.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 tp -76.11 90.29 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -40.63 143.95 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' C ' HD12 ' A' ' 12' ' ' LEU . 1.2 m-20 -84.95 -4.77 59.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 11' ' ' ASP . 10.8 mp -120.71 71.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -108.88 126.79 53.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -167.58 117.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.22 141.4 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -102.9 90.26 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.638 HG23 ' HD2' ' A' ' 18' ' ' PRO . 78.6 mt -77.2 138.12 64.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 0.0 111.149 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.3 Cg_endo -69.75 158.55 56.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.264 . . . . 0.0 112.318 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -64.55 -40.94 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.83 152.3 59.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.578 0.704 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.16 52.92 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.88 17.82 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.4 Cg_endo -69.77 105.92 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 25' ' ' PRO . 84.3 mt -37.23 138.53 0.56 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.79 119.35 6.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.236 . . . . 0.0 112.351 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 1.1 tmtt? -42.72 118.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 34.5 mt-10 -35.55 142.52 0.28 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.613 0.72 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 107.37 1.85 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.299 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 m -84.15 48.04 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -175.14 106.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -95.39 125.0 39.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.75 -36.78 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.685 ' CD1' ' N ' ' A' ' 34' ' ' SER . 37.7 p90 -92.45 -52.53 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.685 ' N ' ' CD1' ' A' ' 33' ' ' PHE . 2.0 t -61.35 95.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.41 146.03 16.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 110.5 2.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.288 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.6 p -49.03 -46.71 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -74.3 140.52 44.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.42 141.33 4.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.5 pt -95.01 34.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.32 . . . . 0.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -117.17 -47.38 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.34 44.12 1.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.438 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -38.97 -58.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.55 -149.55 20.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.532 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -120.87 132.93 55.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 t -90.39 143.65 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -130.24 152.91 19.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -111.21 -53.8 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.8 t -110.42 137.85 47.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.85 64.74 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.4 m -128.7 91.13 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.3 t -159.84 165.37 32.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.78 64.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -129.77 96.07 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.2 p -72.64 141.48 48.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.0 90.45 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.43 113.39 16.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -130.51 41.48 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -47.43 172.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.592 ' HB3' HD12 ' A' ' 86' ' ' ILE . 9.8 ttm180 -125.43 158.1 35.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.459 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -109.45 117.78 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.41 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -129.97 171.99 20.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 83' ' ' VAL . 11.3 t -141.24 129.02 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 121.11 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.475 HG13 ' CD2' ' A' ' 66' ' ' TYR . 25.2 pt -96.4 -29.78 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CD2' HG13 ' A' ' 65' ' ' ILE . 55.4 m-85 -119.23 126.42 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.452 ' N ' HG13 ' A' ' 80' ' ' ILE . 10.3 p30 -62.43 105.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -94.7 151.13 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -146.79 111.17 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 -146.8 16.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -127.33 -49.76 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.11 157.21 22.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.65 154.05 0.15 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.718 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.77 -4.16 8.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.375 0.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 36.8 mt-30 -68.94 128.27 36.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.673 HD23 ' CD1' ' A' ' 108' ' ' PHE . 16.6 tp -113.65 140.67 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -85.1 164.47 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.537 ' CD1' HD11 ' A' ' 113' ' ' ILE . 18.2 mt -152.86 155.07 36.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -128.69 137.51 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 67' ' ' ASN . 69.4 mt -52.95 131.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.82 66.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.08 133.73 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 63' ' ' VAL . 70.5 t -97.28 146.49 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 98' ' ' LEU . 18.4 m -135.84 144.85 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 16.2 mmt85 -82.36 101.65 10.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.592 HD12 ' HB3' ' A' ' 60' ' ' ARG . 77.2 mt -70.68 115.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -96.37 -43.55 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -137.15 170.16 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.449 HG23 ' CD1' ' A' ' 94' ' ' TYR . 25.1 m -139.57 108.72 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLY . 6.2 t -103.08 117.43 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.32 -122.45 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 10.1 m-20 -91.78 40.35 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 39.3 m95 -152.14 136.55 16.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.52 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 24.2 m-85 -95.79 161.58 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -127.31 147.66 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.04 -148.76 20.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.0 p90 -158.0 178.97 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 84' ' ' VAL . 36.2 tp -85.4 129.98 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.464 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 1.7 mt -71.67 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.55 ' HE2' ' CD2' ' A' ' 101' ' ' HIS . 17.0 ptmt -49.16 -22.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 100' ' ' LYS . 45.9 m-70 -157.93 108.22 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 31.5 mttp -85.24 43.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.489 ' CE ' ' HB3' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -100.01 -25.75 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.673 HD12 ' O ' ' A' ' 104' ' ' LEU . 0.7 OUTLIER -118.31 129.24 55.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.515 ' C ' HD13 ' A' ' 76' ' ' LEU . 3.2 mt-30 -139.38 150.13 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.87 -136.67 4.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.5 pt -131.12 160.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.673 ' CD1' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -152.37 160.13 31.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.77 135.43 30.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 39.7 mtpt -64.68 -35.85 82.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.0 p -59.54 -10.69 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.496 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 12.4 m-85 -102.62 -23.78 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 78' ' ' LEU . 33.7 mm -91.19 125.68 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.464 ' HB2' HG23 ' A' ' 65' ' ' ILE . 84.6 t60 -104.05 97.81 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.61 124.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 117' ' ' GLU . 7.6 mtpm? -82.93 37.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 116' ' ' LYS . 35.4 tt0 33.86 48.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 61' ' ' HIS . 29.9 m -81.74 -32.2 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -129.36 -55.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -95.24 148.77 22.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.74 -91.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -40.99 -52.21 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -43.71 147.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -169.21 -80.19 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.1 ptp180 38.11 38.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.4 tt -76.71 -0.16 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 23.2 tp -70.1 -9.55 55.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.488 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.28 109.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 9' ' ' LEU . 4.3 mm? -104.63 35.1 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -88.35 38.97 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 51.47 41.17 28.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.69 HG22 ' H ' ' A' ' 17' ' ' ILE . 50.7 mm -106.0 143.18 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -109.34 35.8 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.69 ' H ' HG22 ' A' ' 15' ' ' ILE . 80.4 mt -101.79 135.65 19.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.8 Cg_endo -69.78 179.06 3.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.242 . . . . 0.0 112.329 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -74.08 -44.67 53.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -132.26 158.98 74.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.618 0.723 . . . . 0.0 111.068 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.558 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.2 Cg_endo -69.81 137.17 34.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.24 57.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.77 110.59 2.59 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.672 HG23 ' HD2' ' A' ' 25' ' ' PRO . 86.9 mt -34.69 138.69 0.33 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.735 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.6 Cg_endo -69.77 -178.83 2.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -90.09 131.91 35.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 70.4 mt-10 -52.78 121.59 23.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.565 ' HD3' ' CD1' ' A' ' 93' ' ' TRP . 54.0 Cg_endo -69.73 128.45 16.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -104.17 176.78 5.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 53.95 40.34 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 28' ' ' PRO . 24.0 m-85 -40.66 150.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -82.39 -59.9 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 95' ' ' ARG . 7.2 p90 -62.37 124.24 20.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.9 p -156.88 137.55 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.49 -158.83 27.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 2.34 3.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.4 p -45.92 -26.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -49.27 123.73 7.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.92 62.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.0 pt -144.42 176.1 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 111.091 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -111.59 -47.44 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.3 52.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -108.79 153.44 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.4 106.2 2.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.6 m -141.64 174.44 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 p -81.35 167.44 19.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.87 -94.63 1.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -47.96 158.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.0 m -126.7 -52.94 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.41 81.39 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.2 p -61.22 141.75 57.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.8 t -100.01 158.22 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.72 161.68 51.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.1 m -144.96 111.59 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.2 m -74.21 158.0 34.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.18 -57.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -38.99 148.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -110.14 89.83 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.51 163.98 26.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 14.4 ttm180 -110.67 148.55 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.802 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -100.46 124.62 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.79 169.84 20.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.516 HG21 ' HD2' ' A' ' 116' ' ' LYS . 16.6 t -144.23 126.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB2' ' OD1' ' A' ' 82' ' ' ASP . . . -66.04 121.97 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 pt -103.72 -32.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.565 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 52.3 m-85 -116.19 130.65 56.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.02 112.55 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -106.79 131.95 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -115.05 113.14 23.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -176.95 33.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -118.88 -44.31 2.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.56 149.45 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.563 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.12 150.29 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.73 -2.62 7.19 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.375 -0.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' NE2' ' OE2' ' A' ' 27' ' ' GLU . 63.3 mt-30 -68.46 137.41 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.678 HD23 ' CD2' ' A' ' 108' ' ' PHE . 13.6 tp -128.1 138.57 52.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 p -80.08 166.85 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.701 HD21 HG11 ' A' ' 84' ' ' VAL . 12.2 mt -151.03 154.63 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 44.6 mt-30 -129.08 133.45 47.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.2 mt -54.19 121.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.1 19.4 21.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.54 ' OD1' ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -109.79 148.87 30.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.802 HG11 ' NE2' ' A' ' 61' ' ' HIS . 92.9 t -112.22 112.94 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.701 HG11 HD21 ' A' ' 78' ' ' LEU . 21.8 m -108.05 133.08 54.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -71.1 111.4 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 91.0 mt -80.83 114.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -95.94 -43.81 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -140.23 174.12 10.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.499 HG23 ' CD1' ' A' ' 94' ' ' TYR . 75.3 m -144.83 115.69 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.5 m -119.46 115.56 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.52 -126.67 28.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.585 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 1.1 m-20 -96.47 37.94 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.585 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 31.0 m95 -153.47 137.23 16.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.615 ' CE2' ' CB ' ' A' ' 110' ' ' LYS . 12.4 m-85 -94.0 174.35 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 2.2 tmm_? -135.82 109.11 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.32 -147.66 5.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.9 p90 -157.55 161.28 38.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.45 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 20.2 tp -70.5 115.5 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.787 HD12 HG12 ' A' ' 83' ' ' VAL . 70.2 mt -57.46 -55.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 10.1 ptmt -52.76 -26.03 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 98' ' ' LEU . 37.7 m-70 -144.63 104.98 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -83.58 30.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.5 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 9.7 ptm -107.15 -18.33 13.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 1.1 mp -111.95 101.1 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -115.39 148.55 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.2 -141.8 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.41 164.12 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.678 ' CD2' HD23 ' A' ' 76' ' ' LEU . 2.4 p90 -160.74 159.9 25.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.94 3.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.615 ' CB ' ' CE2' ' A' ' 94' ' ' TYR . 17.0 ptmt -53.17 -35.0 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.5 p -57.37 -14.41 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.6 m-85 -98.65 -13.42 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 78' ' ' LEU . 38.5 mm -100.52 126.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -95.16 110.52 22.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.449 ' CG2' ' HD3' ' A' ' 60' ' ' ARG . 29.2 mm -74.85 107.45 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.516 ' HD2' HG21 ' A' ' 63' ' ' VAL . 9.0 mtpm? -81.74 91.85 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.83 48.97 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 19.7 m -82.21 -20.58 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -148.44 160.03 43.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -136.03 170.45 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.34 -152.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t -162.28 138.6 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -115.03 160.6 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.61 -170.62 35.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -119.55 145.78 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 tp -154.51 113.22 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -43.46 145.22 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.544 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -172.62 111.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 11' ' ' ASP . 4.4 tt -35.34 -54.88 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -103.54 148.2 26.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -82.55 -45.91 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 mp -74.12 141.26 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -131.38 91.69 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.589 HG23 ' HD2' ' A' ' 18' ' ' PRO . 86.2 mt -98.09 136.63 20.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 111.186 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.3 Cg_endo -69.68 -178.38 2.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -83.53 -36.19 24.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -114.37 157.65 41.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.73 123.34 10.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 159.22 54.27 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.77 3.82 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 25' ' ' PRO . 74.5 mt -54.12 137.32 57.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.72 178.26 4.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.375 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' GLU . 6.8 tppt? -76.25 114.38 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' LYS . 3.9 tm-20 -35.32 126.68 0.57 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.636 0.731 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD3' ' NE1' ' A' ' 93' ' ' TRP . 54.2 Cg_endo -69.77 119.78 6.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -91.3 47.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -135.03 42.26 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.691 ' CE2' HG21 ' A' ' 107' ' ' ILE . 6.7 m-85 -123.67 37.72 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' PHE . 16.2 t70 -63.66 -39.64 94.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.2 p90 -34.95 129.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.8 m -98.98 93.15 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.71 -156.6 4.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' SER . 54.0 Cg_endo -69.77 2.86 3.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.634 2.222 . . . . 0.0 112.361 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' PRO . 50.8 m -34.0 -49.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' SER . 93.0 p 34.7 51.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.6 -47.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.792 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.7 pp -117.93 30.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.114 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 7.9 tm-20 -59.86 164.65 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 43' ' ' ARG . . . -35.18 106.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -32.58 121.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.83 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' SER . . . 154.47 39.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' GLY . 4.3 m 37.14 39.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.8 m -93.85 170.47 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.17 87.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -113.93 151.24 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.8 p -64.48 135.74 56.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.77 -156.68 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -89.34 162.78 15.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.377 . . . . 0.0 110.813 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.5 t -73.53 107.29 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.25 -61.68 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -64.07 94.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 0.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' GLY . 64.1 m -60.05 -53.09 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 35.77 81.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.478 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -52.36 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 79.66 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -42.32 155.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -97.28 138.22 35.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.78 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -90.81 121.15 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -125.77 158.0 19.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.96 HG22 HG22 ' A' ' 83' ' ' VAL . 9.3 t -139.83 127.74 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 134.81 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.4 pt -112.68 -28.52 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 41.5 m-85 -120.33 131.2 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.48 ' ND2' HD12 ' A' ' 80' ' ' ILE . 51.9 m-20 -60.1 115.0 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -108.75 138.17 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -122.98 116.84 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.46 -173.53 22.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -119.83 -48.49 2.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -175.97 153.58 15.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.545 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.97 154.15 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.69 . . . . 0.0 111.12 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.5 Cg_endo -69.8 -3.45 7.76 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.343 0.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.435 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 20.5 mt-30 -69.0 144.1 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.743 HD11 HD12 ' A' ' 104' ' ' LEU . 8.2 tp -132.0 140.66 49.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -77.76 166.87 22.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.62 HD21 HG11 ' A' ' 84' ' ' VAL . 20.5 mt -155.67 152.91 29.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -128.31 132.98 48.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.48 HD12 ' ND2' ' A' ' 67' ' ' ASN . 77.3 mt -49.44 123.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 20.89 27.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.484 ' OD1' HG13 ' A' ' 84' ' ' VAL . 1.1 p30 -108.96 138.95 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.96 HG22 HG22 ' A' ' 63' ' ' VAL . 77.2 t -105.5 111.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 78' ' ' LEU . 12.6 m -108.99 144.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -81.88 122.99 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.84 122.44 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.13 -41.87 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -133.54 151.4 51.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.422 HG23 ' HE2' ' A' ' 110' ' ' LYS . 98.5 m -134.71 112.58 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 53.8 m -126.45 139.72 53.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.16 -124.96 3.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 1.5 m-20 -108.75 45.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 52.0 m95 -154.12 137.21 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 23.0 m-85 -94.14 162.14 13.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' HG2' HG22 ' A' ' 107' ' ' ILE . 0.8 OUTLIER -132.01 113.86 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.77 -143.23 4.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -157.95 164.72 36.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.55 HD21 ' HD2' ' A' ' 100' ' ' LYS . 37.8 tp -74.94 117.56 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.955 HD12 HG12 ' A' ' 83' ' ' VAL . 35.4 mt -61.14 -55.19 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.55 ' HD2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -49.83 -28.22 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.403 ' HB2' HD23 ' A' ' 98' ' ' LEU . 97.5 m-70 -149.28 105.23 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -84.07 31.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 27.8 mtp -95.81 -9.35 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.743 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -133.43 123.8 25.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -130.67 150.07 52.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.91 10.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.691 HG21 ' CE2' ' A' ' 31' ' ' TYR . 45.9 pt -127.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.543 ' CD2' HD23 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -159.69 161.22 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.86 9.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 5.6 mtpm? -54.56 -32.81 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -60.36 -12.69 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 6.1 m-85 -102.66 -17.37 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -99.29 128.72 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -104.24 114.62 28.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.19 117.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -77.06 47.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.71 88.19 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -73.62 -42.72 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -140.24 115.73 10.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -57.87 -61.19 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.4 -62.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.443 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -111.5 41.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -97.58 141.6 30.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.96 173.64 47.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.45 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -110.2 150.25 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -92.73 90.85 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -75.08 179.75 4.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.24 112.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.803 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 tt -125.95 -64.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -94.09 -175.06 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.45 -44.12 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 mt -96.26 132.9 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -132.39 63.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.651 HG23 ' HD2' ' A' ' 18' ' ' PRO . 76.9 mt -109.26 138.45 20.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.4 Cg_endo -69.7 177.27 5.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.83 -35.37 14.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.9 150.9 67.6 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 53.8 Cg_endo -69.76 115.12 3.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 21' ' ' PRO . 53.9 Cg_endo -69.74 169.73 18.19 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.356 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 114.58 3.74 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.542 HG23 ' HD2' ' A' ' 25' ' ' PRO . 72.5 mt -51.35 136.02 31.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.651 0.739 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.542 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.5 Cg_endo -69.81 -179.11 2.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.34 139.72 32.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.02 124.33 51.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HD3' ' CE2' ' A' ' 93' ' ' TRP . 53.6 Cg_endo -69.81 120.72 7.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 m -100.18 48.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -131.04 47.2 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 90' ' ' CYS . 33.1 m-85 -116.54 155.16 29.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -129.35 -48.0 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.833 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -35.5 121.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.9 t -92.14 105.07 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.11 151.86 25.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -37.23 9.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m -79.49 83.06 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.2 p -157.73 145.42 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.55 154.3 16.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.853 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -125.17 138.66 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' ILE . 5.4 tt0 -35.11 103.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.39 -111.27 1.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -171.27 159.94 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.48 96.11 2.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -94.24 105.62 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 t -81.43 117.83 22.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.48 56.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.5 p -72.47 172.55 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 m -95.72 175.31 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.9 -92.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.4 t -61.74 100.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.793 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -80.17 175.31 10.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.5 65.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 m -72.09 -51.99 18.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.7 m -143.61 152.62 41.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.44 39.36 1.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.16 42.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -83.47 39.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -56.7 150.31 16.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -89.3 150.46 22.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.826 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-160 -107.39 124.62 50.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.29 171.19 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 83' ' ' VAL . 5.4 t -146.03 130.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -67.25 124.96 24.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 pt -104.05 -19.19 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.506 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 49.1 m-85 -132.62 128.89 38.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -58.14 107.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -101.08 127.26 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -116.71 110.44 18.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.55 -166.22 27.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -118.2 -48.45 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.77 158.3 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.25 149.52 0.18 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -7.84 10.18 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.337 -0.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.74 137.49 52.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.87 HD11 HD12 ' A' ' 104' ' ' LEU . 7.9 tp -126.29 140.0 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -81.33 156.38 25.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.675 HD21 HG11 ' A' ' 84' ' ' VAL . 20.0 mt -143.99 156.65 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 45.6 mt-30 -128.37 139.21 52.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.4 mt -52.68 137.54 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.69 15.22 81.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.73 132.49 52.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.826 HG11 ' NE2' ' A' ' 61' ' ' HIS . 74.6 t -97.23 131.48 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.675 HG11 HD21 ' A' ' 78' ' ' LEU . 31.6 m -121.09 142.58 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -84.36 104.19 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.22 132.03 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.46 -32.22 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -146.46 145.76 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -130.56 117.41 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 69.0 m -124.94 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.33 -125.1 9.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.5 26.87 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.493 ' CE2' ' HD3' ' A' ' 28' ' ' PRO . 20.4 m95 -133.07 145.39 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 10.7 m-85 -96.6 165.14 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -133.42 110.85 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.6 -150.01 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.3 p90 -157.05 161.52 39.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.404 . . . . 0.0 110.918 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.494 ' HA ' HG12 ' A' ' 84' ' ' VAL . 8.1 tp -70.32 113.23 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.707 HD12 HG12 ' A' ' 83' ' ' VAL . 58.9 mt -55.38 -49.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.465 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 7.8 ptpp? -59.58 -22.92 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.582 ' HB2' HD21 ' A' ' 104' ' ' LEU . 98.6 m-70 -147.51 105.08 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -83.9 2.13 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.42 ' HG2' HD23 ' A' ' 104' ' ' LEU . 22.5 ptp -72.26 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.87 HD12 HD11 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -128.64 131.96 48.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -145.08 143.24 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.63 -142.41 6.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 pt -127.6 164.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -157.73 160.96 29.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.4 Cg_endo -69.83 123.66 10.3 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.9 mtpm? -57.45 -23.46 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.0 p -71.62 -8.56 54.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.9 m-85 -105.62 -15.21 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.663 HD11 ' CD1' ' A' ' 78' ' ' LEU . 48.5 mm -102.24 126.3 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -99.92 102.96 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.85 111.03 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -88.5 104.39 16.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -128.85 87.96 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.3 m -81.0 -3.82 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -158.31 170.86 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -95.82 138.46 33.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.72 -121.72 4.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -87.83 82.46 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -130.98 43.37 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.4 -179.58 50.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -111.46 121.54 45.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 10' ' ' LEU . 2.2 tt -152.3 108.9 3.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 9' ' ' LEU . 5.1 mp -110.66 -20.16 12.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -63.08 -8.49 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.792 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -39.59 -37.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -73.8 92.45 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.76 90.11 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.8 mm -103.48 136.69 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -133.2 107.09 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.985 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 18' ' ' PRO . 85.8 mt -101.56 137.57 19.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.8 Cg_endo -69.77 152.95 69.38 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.292 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.77 -39.65 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.84 151.52 47.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.66 8.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.288 . . . . 0.0 112.325 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 159.93 51.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.76 110.24 2.51 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 25' ' ' PRO . 71.5 mt -34.52 138.59 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.2 Cg_endo -69.74 -178.22 2.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' CD ' ' H ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -90.85 134.48 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -46.19 143.15 3.77 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.556 ' HD3' ' CD1' ' A' ' 93' ' ' TRP . 53.8 Cg_endo -69.7 175.51 7.96 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -61.86 179.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -41.22 102.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 74' ' ' PRO . 9.7 m-85 -43.32 114.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.31 91.52 1.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.05 -175.05 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.8 m -86.55 50.22 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.72 146.55 4.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.11 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 m -148.04 128.53 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 m -39.63 -45.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.84 -126.07 7.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 pt -152.5 170.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -40.65 -45.33 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.8 142.99 7.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -57.46 -54.61 44.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.84 133.56 11.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.0 m -73.2 88.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 t -167.27 110.04 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.25 149.75 5.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 m -159.63 156.77 28.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -123.28 42.11 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 37.14 -146.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.9 p -163.86 146.15 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 t -132.88 167.13 20.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.85 66.03 1.38 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 t -82.63 -50.5 8.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.814 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 m -149.48 145.32 26.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 90.55 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.34 49.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.834 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -100.67 35.6 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -93.69 -178.55 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -103.77 145.57 29.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.82 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -105.65 119.24 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -122.9 157.09 17.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 1.018 HG22 HG22 ' A' ' 83' ' ' VAL . 19.1 t -138.83 129.01 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 130.8 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -109.1 -16.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.423 ' OH ' ' CG2' ' A' ' 17' ' ' ILE . 51.3 m-85 -132.64 145.78 51.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -71.32 101.92 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -96.19 124.6 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -123.26 111.26 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.63 -143.07 13.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 m -133.94 -44.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.09 156.66 15.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.19 151.18 0.13 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.82 -3.19 7.63 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.329 0.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 28.7 mt-30 -73.67 123.94 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 104' ' ' LEU . 5.5 tp -112.67 139.61 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -77.36 164.58 25.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 113' ' ' ILE . 13.5 mt -153.38 153.35 32.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.99 136.69 49.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -47.06 132.87 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.81 15.56 65.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.97 136.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 1.018 HG22 HG22 ' A' ' 63' ' ' VAL . 63.0 t -105.02 138.29 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 17.6 m -129.78 142.0 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -80.06 104.57 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.6 mt -73.85 124.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.34 -36.42 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 12.9 tt0 -148.86 158.74 44.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 125.02 43.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -111.27 97.96 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.74 -124.94 37.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.472 ' OD2' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -83.9 13.16 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.556 ' CD1' ' HD3' ' A' ' 28' ' ' PRO . 10.2 m95 -128.09 155.09 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 30.7 m-85 -98.97 -178.05 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 2.7 tmm_? -143.58 110.56 5.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.28 -152.27 8.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.5 p90 -155.25 177.94 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.929 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.966 HD23 ' HB2' ' A' ' 101' ' ' HIS . 6.5 tp -83.31 115.56 22.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.607 ' CD1' HG12 ' A' ' 83' ' ' VAL . 32.7 mt -59.66 -40.72 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -29.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.966 ' HB2' HD23 ' A' ' 98' ' ' LEU . 96.4 m-70 -134.96 66.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -52.82 -25.32 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 28.4 mtm -42.02 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -117.08 125.0 50.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -134.5 142.27 46.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.74 -146.1 7.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.4 pt -126.24 167.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.485 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -160.16 161.04 26.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 132.94 24.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.561 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 36.6 mtpt -63.38 -29.19 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -62.34 -17.63 59.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.71 -13.16 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 78' ' ' LEU . 43.4 mm -99.15 128.11 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -102.69 97.97 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.59 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -90.6 129.79 36.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.06 85.82 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -125.29 -59.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HD3' HG21 ' A' ' 115' ' ' ILE . 18.1 ttm-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.71 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -95.38 118.04 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.536 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.92 169.66 16.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.867 HG22 HG22 ' A' ' 83' ' ' VAL . 14.2 t -144.86 130.5 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.05 126.44 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.412 ' C ' HG12 ' A' ' 80' ' ' ILE . 18.3 pt -105.2 -25.77 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.558 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 48.8 m-85 -122.97 137.33 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -67.71 111.32 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -99.5 135.65 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -119.55 111.3 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.27 -176.45 24.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -118.89 -41.61 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.94 154.63 13.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.29 153.78 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.4 Cg_endo -69.73 -2.77 7.28 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.365 0.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.447 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 43.1 mt-30 -70.81 133.38 46.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.21 140.15 52.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.2 p -78.67 156.31 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 mt -146.65 152.78 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -129.58 133.9 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.412 HG12 ' C ' ' A' ' 65' ' ' ILE . 88.9 mt -47.45 132.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.11 15.35 59.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.433 ' HB3' HD11 ' A' ' 98' ' ' LEU . 1.4 m-20 -109.79 139.98 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.867 HG22 HG22 ' A' ' 63' ' ' VAL . 90.5 t -105.34 137.84 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.629 HG12 HD12 ' A' ' 98' ' ' LEU . 32.1 m -124.77 144.84 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -83.39 100.62 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 60' ' ' ARG . 45.4 mt -73.49 119.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.52 -42.25 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.68 171.7 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -145.55 113.53 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.1 133.85 55.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -130.21 5.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.434 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 54.7 m-20 -100.46 35.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 41.2 m95 -145.12 141.46 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 36.2 m-85 -94.07 161.12 14.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -128.44 119.05 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.65 -145.34 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 4.1 p90 -157.97 168.61 26.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 0.0 110.937 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.629 HD12 HG12 ' A' ' 84' ' ' VAL . 10.0 tp -77.41 112.95 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.822 HD12 HG12 ' A' ' 83' ' ' VAL . 31.3 mt -55.34 -42.84 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.472 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 12.7 ptpt -68.45 -34.71 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.609 ' HB2' HD23 ' A' ' 98' ' ' LEU . 99.7 m-70 -135.0 85.29 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -64.51 -22.64 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.7 ptm -48.24 -20.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -120.26 125.76 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 66.6 mt-30 -134.98 152.59 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.23 10.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.54 167.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -159.53 160.82 27.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 133.46 25.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.524 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.0 mtpt -64.38 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -66.65 -13.03 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.3 m-85 -103.74 -14.57 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.0 mm -98.76 125.01 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.63 98.48 9.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.472 HG21 ' HD3' ' A' ' 60' ' ' ARG . 37.0 mm -67.41 111.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HD2' HG23 ' A' ' 63' ' ' VAL . 27.4 mtpt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.872 0.368 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.89 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -99.27 118.87 36.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.418 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -124.04 168.67 16.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.85 HG22 HG22 ' A' ' 83' ' ' VAL . 11.8 t -143.42 131.72 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.98 130.69 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.411 HG13 ' CD2' ' A' ' 66' ' ' TYR . 14.6 pt -107.73 -16.91 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.468 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 63.2 m-85 -136.15 140.52 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -66.42 104.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -90.46 133.0 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -128.23 107.59 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.11 -153.06 27.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -121.67 -42.79 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.13 162.21 24.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.69 151.26 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -3.81 7.92 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.357 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.414 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 12.3 mt-30 -69.9 140.54 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -129.52 141.49 50.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 p -77.81 162.04 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 84' ' ' VAL . 19.7 mt -147.39 156.14 42.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -128.39 136.46 50.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -48.75 124.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.38 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.66 133.01 54.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.894 HG12 HD12 ' A' ' 99' ' ' ILE . 96.2 t -101.15 128.19 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.639 HG11 HD21 ' A' ' 78' ' ' LEU . 27.7 m -119.72 141.99 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -83.38 110.52 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.3 mt -80.33 128.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -113.26 -39.52 4.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.63 149.06 47.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.4 m -119.61 114.83 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 72.4 m -116.19 116.87 28.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.39 -132.74 4.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 5.7 t70 -88.94 43.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 52.3 m95 -156.29 136.78 13.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 44.2 m-85 -93.99 157.48 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -122.77 116.87 24.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.82 -146.04 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -157.74 163.73 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.614 ' HA ' HG12 ' A' ' 84' ' ' VAL . 7.3 tp -72.65 113.54 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.894 HD12 HG12 ' A' ' 83' ' ' VAL . 61.6 mt -60.22 -44.49 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.613 ' HE2' HD21 ' A' ' 98' ' ' LEU . 8.4 pttt -64.17 -10.17 21.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 100' ' ' LYS . 27.8 m-70 -162.87 107.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -84.37 28.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 33.4 mtm -103.68 -2.7 26.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -135.02 117.01 15.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -126.19 150.58 48.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 167.91 -147.39 11.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 10.0 pt -131.86 168.22 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -160.28 161.38 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.75 135.24 29.99 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 3.4 mtmm -63.84 -31.7 72.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.6 t -60.82 -12.64 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.468 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 6.2 m-85 -104.37 -19.82 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 78' ' ' LEU . 37.9 mm -95.68 121.51 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -95.55 95.93 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.1 mm -65.02 115.19 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.822 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 22.7 ttm-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.651 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -112.51 118.35 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.08 161.74 17.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 83' ' ' VAL . 16.3 t -142.5 127.29 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.87 123.73 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 pt -104.96 -19.73 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.438 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 37.6 m-85 -126.29 140.19 52.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -69.34 108.85 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -103.12 135.94 43.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -134.64 117.18 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.79 -152.94 14.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 t -120.42 -47.08 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 178.03 158.04 20.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.6 152.94 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.76 -2.98 7.43 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.346 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.441 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 31.6 mt-30 -70.95 128.34 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.9 tp -114.33 138.63 50.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.6 p -77.1 160.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 113' ' ' ILE . 26.5 mt -150.55 148.44 28.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -130.12 138.91 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.3 mt -48.27 136.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.94 70.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.412 ' HB3' HD11 ' A' ' 98' ' ' LEU . 1.2 m-20 -109.44 134.16 52.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 63' ' ' VAL . 85.0 t -104.71 138.98 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 98' ' ' LEU . 24.3 m -129.62 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -84.02 100.02 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.36 117.01 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -108.48 -38.53 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 3.0 mm-40 -127.55 164.62 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 m -145.46 115.32 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' GLY . 92.9 m -122.47 130.35 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.08 -130.97 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.429 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.553 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 57.0 m-20 -93.08 41.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.553 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 44.0 m95 -152.42 143.57 23.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.502 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 31.7 m-85 -94.08 172.65 8.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 88' ' ' GLU . 40.5 tpt85 -144.98 109.06 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.59 -140.03 2.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.425 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 3.8 p90 -157.73 168.51 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.953 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.657 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.3 tp -78.94 116.77 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.867 HD12 HG12 ' A' ' 83' ' ' VAL . 28.6 mt -57.11 -53.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.411 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.56 -25.84 53.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.58 105.08 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -83.63 19.77 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.1 mmt -94.58 -11.77 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.618 ' N ' HD12 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -122.25 119.58 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -132.38 147.88 52.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.0 -144.02 8.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.9 pt -130.87 159.2 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CG ' HD11 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -153.72 160.15 31.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.865 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.6 Cg_endo -69.66 130.67 19.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.388 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.502 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 6.3 mtpm? -60.14 -38.03 81.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.1 p -55.75 -15.98 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 15.7 m-85 -96.54 -25.48 15.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.615 HD11 ' CD1' ' A' ' 78' ' ' LEU . 38.2 mm -92.08 128.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -99.26 100.63 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.431 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 38.6 mm -67.15 106.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.9 mttt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.844 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.855 0.359 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.526 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.6 t-80 -94.43 123.38 37.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -132.18 166.04 23.39 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 83' ' ' VAL . 15.7 t -140.0 127.57 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 111.119 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 120.23 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 pt -97.14 -31.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.415 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 34.3 m-85 -114.83 139.64 49.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -68.85 109.88 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.88 147.9 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -136.71 126.67 25.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.85 -178.21 15.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.7 t -109.23 -37.68 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.31 160.48 21.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.13 152.01 0.23 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.68 -3.77 7.79 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.41 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 66.4 mt-30 -71.61 133.61 45.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 10.6 tp -122.25 138.51 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 154.74 31.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.445 HD21 HG11 ' A' ' 84' ' ' VAL . 25.2 mt -149.2 153.41 37.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -129.88 137.22 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.2 mt -48.36 135.07 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.08 15.6 62.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -110.35 145.39 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 63' ' ' VAL . 90.3 t -110.13 144.04 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 98' ' ' LEU . 32.2 m -132.5 144.73 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -83.87 98.56 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.0 117.35 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -103.33 -42.52 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -135.24 159.03 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -137.34 127.93 26.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLY . 60.4 m -127.98 140.59 51.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.08 -110.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.48 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 6.3 m-20 -118.6 44.77 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 54.8 m95 -151.01 142.83 23.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.583 ' CZ ' HD11 ' A' ' 115' ' ' ILE . 15.9 m-85 -94.4 154.34 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.76 109.39 12.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.28 -144.95 4.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 3.5 p90 -158.03 161.17 38.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 ' HB2' ' A' ' 101' ' ' HIS . 12.5 tp -70.73 114.94 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.662 HD12 HG12 ' A' ' 83' ' ' VAL . 54.3 mt -57.25 -55.06 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -30.09 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.839 ' HB2' HD23 ' A' ' 98' ' ' LEU . 70.1 m-70 -135.0 90.05 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 19.8 mmtp -70.02 -0.64 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.1 mmm -80.94 4.34 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 101' ' ' HIS . 2.3 mp -136.38 116.14 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.45 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 26.9 mt-30 -130.43 149.95 51.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.81 -142.36 7.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.37 164.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.463 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -159.07 160.82 28.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.911 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.82 124.37 10.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 51.1 mtpt -55.14 -35.51 64.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.9 p -59.26 -11.91 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.471 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.4 m-85 -101.11 -18.66 16.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -100.41 131.02 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -100.49 107.04 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.583 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 51.8 mm -65.75 116.8 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mttm . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.826 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.798 0.332 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.859 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.4 t-160 -120.95 117.82 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.593 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -122.35 170.62 15.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.911 HG22 HG22 ' A' ' 83' ' ' VAL . 4.9 t -143.65 131.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 124.3 22.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 pt -106.35 -16.94 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -135.68 134.5 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -60.4 105.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -93.71 140.79 29.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -140.09 105.97 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -148.5 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.7 t -126.2 -46.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.67 157.61 19.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.552 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.81 153.58 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -2.95 7.41 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.372 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.438 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 10.2 mt-30 -71.62 128.84 37.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.93 139.23 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.9 p -78.17 163.07 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.688 HD21 HG11 ' A' ' 84' ' ' VAL . 16.5 mt -146.25 156.72 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -128.37 136.69 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.8 mt -51.41 132.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.26 11.75 68.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.61 133.44 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.911 HG22 HG22 ' A' ' 63' ' ' VAL . 62.1 t -98.73 146.07 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.688 HG11 HD21 ' A' ' 78' ' ' LEU . 27.6 m -134.42 143.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -82.99 103.03 12.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.7 mt -70.87 132.02 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -116.99 -33.78 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -148.99 163.2 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.436 HG23 ' CD1' ' A' ' 94' ' ' TYR . 11.0 m -140.68 122.52 15.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 27.4 t -115.48 130.7 56.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.99 -98.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 9.9 m-20 -123.17 51.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 71.7 m95 -156.74 132.88 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 13.6 m-85 -94.32 141.84 28.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -112.81 138.09 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.2 -147.91 12.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 4.6 p90 -156.88 162.78 39.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 84' ' ' VAL . 10.2 tp -73.71 113.46 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 69.1 mt -53.65 -55.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.467 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 5.2 ptpt -52.38 -28.93 21.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -145.56 105.16 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 8.8 mtmm -84.33 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' A' ' 103' ' ' MET . 3.0 mpp? -99.93 -7.33 25.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -126.85 105.82 8.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -115.82 150.82 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 165.75 -146.27 10.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 74' ' ' PRO . 37.5 pt -130.89 167.22 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -158.56 160.28 29.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.5 Cg_endo -69.78 128.74 16.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.684 2.256 . . . . 0.0 112.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 13.4 mtmt -59.42 -31.43 69.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.8 p -64.24 -8.69 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 11.8 m-85 -105.29 -18.32 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.665 HD11 ' CD1' ' A' ' 78' ' ' LEU . 40.5 mm -96.74 136.2 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -105.92 97.25 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.9 mm -69.05 104.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.488 ' NZ ' HG23 ' A' ' 63' ' ' VAL . 22.6 mtmt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.499 ' HB3' HD12 ' A' ' 86' ' ' ILE . 7.3 ttm-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.818 0.342 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.783 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -104.02 121.79 43.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.455 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -127.27 165.6 20.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.788 HG22 HG22 ' A' ' 83' ' ' VAL . 15.4 t -141.27 127.19 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.56 127.87 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 pt -110.99 -15.48 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.576 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 29.8 m-85 -128.81 135.26 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -67.33 99.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -91.44 144.6 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -135.26 116.77 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.65 -165.89 21.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 -40.77 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 175.13 153.94 10.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.85 151.08 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.2 Cg_endo -69.79 -4.46 8.35 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.372 0.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.403 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 20.7 mt-30 -68.91 139.14 55.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.846 HD11 HD12 ' A' ' 104' ' ' LEU . 5.2 tp -129.15 147.33 50.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 99.0 p -85.61 158.01 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.514 HD21 HG11 ' A' ' 84' ' ' VAL . 20.0 mt -147.61 152.05 37.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -128.54 135.25 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.8 mt -47.56 128.44 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.88 18.17 41.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -111.97 144.09 41.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.788 HG22 HG22 ' A' ' 63' ' ' VAL . 83.9 t -111.17 134.5 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.666 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 33.0 m -123.98 143.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -81.13 105.69 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 60' ' ' ARG . 61.9 mt -76.34 127.26 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -114.56 -39.79 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -140.87 155.38 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.4 HG23 ' CD1' ' A' ' 94' ' ' TYR . 19.0 m -127.75 105.41 8.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLY . 23.8 m -107.51 129.76 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.48 -142.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.492 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 4.7 m-20 -81.15 42.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 52.0 m95 -151.71 143.14 23.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 15.6 m-85 -96.44 164.34 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 106' ' ' GLY . 9.9 tpt85 -127.42 118.56 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 177.27 -157.42 22.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -152.37 162.49 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 101' ' ' HIS . 19.8 tp -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.642 HD12 HG12 ' A' ' 83' ' ' VAL . 65.9 mt -56.25 -54.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -56.3 -32.12 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.83 ' HB2' HD23 ' A' ' 98' ' ' LEU . 38.5 m-70 -135.0 82.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.31 -3.87 9.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.545 ' HG3' HD23 ' A' ' 104' ' ' LEU . 7.9 ptp -66.26 -16.64 64.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.846 HD12 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -124.97 129.06 49.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -135.37 153.19 51.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.447 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 167.24 -143.61 8.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.1 pt -131.01 168.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -160.61 161.43 24.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.732 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 112' ' ' PHE . 53.6 Cg_endo -69.79 133.1 24.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 28.8 mtpt -63.01 -25.77 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.6 p -68.41 -11.06 59.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.8 m-85 -104.4 -17.85 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.473 HD11 ' CD1' ' A' ' 78' ' ' LEU . 51.2 mm -99.78 123.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -98.17 101.03 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.4 mm -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.0 mttt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.848 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -94.86 118.27 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.602 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -125.0 167.27 17.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.887 HG22 HG22 ' A' ' 83' ' ' VAL . 12.8 t -142.76 133.71 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.59 130.07 41.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.41 HG23 ' HB2' ' A' ' 114' ' ' HIS . 13.4 pt -109.64 -15.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -138.46 141.83 39.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.25 105.69 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -98.07 121.09 39.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -124.02 109.61 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.47 -153.3 26.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -118.27 -40.53 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.97 159.28 19.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.558 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.43 151.12 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.1 Cg_endo -69.77 -3.61 7.82 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.364 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.409 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 33.4 mt-30 -69.25 123.12 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.4 tp -109.64 140.07 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.8 p -75.85 154.87 35.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.449 HD21 HG11 ' A' ' 84' ' ' VAL . 20.7 mt -146.27 154.68 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -129.98 134.49 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.6 mt -47.37 128.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.26 17.5 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.59 131.77 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.887 HG22 HG22 ' A' ' 63' ' ' VAL . 48.9 t -96.75 142.08 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 29.6 m -132.46 134.32 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.448 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 15.0 mmt180 -76.26 99.99 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.4 mt -70.8 120.01 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -104.69 -41.94 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 89' ' ' THR . 4.4 tm-20 -137.88 156.79 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 88' ' ' GLU . 40.1 m -132.13 110.03 10.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.5 p -100.75 121.3 41.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.4 -121.74 2.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 0.6 OUTLIER -96.06 37.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 35.1 m95 -146.98 150.2 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 25.2 m-85 -100.57 169.27 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.637 HH11 ' N ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -139.58 115.29 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.637 ' N ' HH11 ' A' ' 95' ' ' ARG . . . -172.6 -152.57 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.543 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 4.6 p90 -153.54 161.27 42.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.3 tp -70.41 118.93 13.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.448 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.6 mt -64.23 -48.86 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 13.3 ptpt -58.49 -14.3 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 95.0 m-70 -161.05 106.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 5.6 mmmm -75.15 1.79 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.9 mtm -76.92 1.99 16.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 104' ' ' LEU . 1.1 mp -135.48 130.52 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.445 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 37.6 mt-30 -147.88 148.9 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.454 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 165.91 -145.76 10.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.28 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -151.58 160.26 32.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.744 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.74 133.16 24.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 14.3 mtpp -63.2 -22.56 66.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.6 m -70.97 -10.0 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.501 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 16.4 m-85 -106.15 -13.6 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -100.02 134.86 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.41 ' HB2' HG23 ' A' ' 65' ' ' ILE . 78.3 t60 -105.89 96.29 6.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 32.4 mm -65.84 112.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.859 0.362 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.853 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.8 t-80 -93.23 119.36 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -124.02 165.15 16.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 83' ' ' VAL . 6.7 t -145.04 130.1 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -68.72 136.41 52.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.544 HG13 ' CD2' ' A' ' 66' ' ' TYR . 16.0 pt -114.11 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CD2' HG13 ' A' ' 65' ' ' ILE . 45.8 m-85 -135.48 136.46 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.84 105.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.96 141.7 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -138.13 113.6 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.17 -151.1 17.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.79 -43.48 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.18 162.59 24.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.5 150.94 0.15 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.77 -3.33 7.65 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.348 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.416 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 56.3 mt-30 -71.23 130.95 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.5 tp -117.06 137.99 51.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.0 p -77.78 151.06 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.675 ' CD1' HD11 ' A' ' 113' ' ' ILE . 14.1 mt -140.13 155.73 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.488 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 38.6 mt-30 -129.79 146.94 51.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.5 mt -55.02 129.11 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.65 26.68 41.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.455 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.84 132.69 54.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 63' ' ' VAL . 84.9 t -102.72 134.95 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 98' ' ' LEU . 33.0 m -131.24 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.28 101.3 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.95 115.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.36 -43.3 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -132.62 163.57 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -144.7 124.92 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.7 t -123.53 124.24 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -118.17 1.67 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 t70 -103.68 42.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.581 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 45.1 m95 -152.0 138.62 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.47 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 34.2 m-85 -94.03 168.46 10.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.459 ' CZ ' HG23 ' A' ' 107' ' ' ILE . 13.6 tpp180 -142.52 116.08 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.38 -143.78 4.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.44 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 102' ' ' LYS . 3.6 p90 -157.88 164.43 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 84' ' ' VAL . 8.1 tp -74.8 113.1 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.641 HD12 HG12 ' A' ' 83' ' ' VAL . 53.2 mt -51.89 -55.05 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.51 ' HE3' HD21 ' A' ' 98' ' ' LEU . 16.9 pttt -55.57 -31.64 62.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -134.98 102.29 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 97' ' ' TYR . 11.8 mtpt -84.22 29.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 24.5 mtm -107.09 -6.36 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -126.87 109.77 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' A' ' 105' ' ' GLN . 12.8 mp0 -123.92 145.84 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.32 -144.37 7.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.459 HG23 ' CZ ' ' A' ' 95' ' ' ARG . 30.4 pt -131.4 161.98 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -155.96 159.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 132.61 23.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.47 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.2 mtpt -63.49 -24.49 67.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -68.34 -10.86 57.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.4 m-85 -106.42 -16.16 14.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.675 HD11 ' CD1' ' A' ' 78' ' ' LEU . 47.7 mm -100.39 137.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -113.71 108.07 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mm -67.25 112.39 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.855 0.359 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.828 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -103.4 117.86 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.58 167.6 15.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 HG22 ' A' ' 83' ' ' VAL . 16.6 t -143.08 127.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.67 128.7 37.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.482 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.4 pt -105.69 -28.34 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.482 ' CD2' HG13 ' A' ' 65' ' ' ILE . 64.8 m-85 -121.4 138.41 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.481 HD22 HD11 ' A' ' 80' ' ' ILE . 4.0 p30 -63.7 116.13 5.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 109' ' ' PRO . 40.8 t80 -104.9 141.92 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -129.0 120.93 26.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.22 -174.44 18.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -117.01 -39.89 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.17 156.88 12.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.537 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.73 151.91 0.11 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.532 0.682 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.77 -5.24 8.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.312 -0.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.84 147.24 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.924 HD11 HD12 ' A' ' 104' ' ' LEU . 9.6 tp -134.68 144.58 47.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.8 p -81.38 160.85 23.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.843 HD21 HG11 ' A' ' 84' ' ' VAL . 18.1 mt -151.2 154.54 37.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -127.05 132.81 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.481 HD11 HD22 ' A' ' 67' ' ' ASN . 85.9 mt -44.66 124.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.84 24.89 24.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.539 ' OD1' HD22 ' A' ' 78' ' ' LEU . 1.5 p30 -109.78 140.61 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.828 HG11 ' NE2' ' A' ' 61' ' ' HIS . 80.6 t -105.49 113.98 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.843 HG11 HD21 ' A' ' 78' ' ' LEU . 28.3 m -113.73 130.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.463 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 6.1 mmt180 -72.18 110.48 6.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.87 123.58 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -110.25 -41.01 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -138.06 160.51 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.0 m -138.94 117.94 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 19.3 p -111.69 123.98 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.75 -110.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.495 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 3.5 t0 -109.59 41.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 38.5 m95 -148.53 135.82 20.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 13.5 m-85 -94.02 154.91 17.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.59 133.59 55.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.05 -152.64 15.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 5.5 p90 -158.18 159.32 36.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.6 tp -66.9 115.48 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.668 HD12 HG12 ' A' ' 83' ' ' VAL . 29.4 mt -63.01 -55.25 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 3.8 ptmm? -49.15 -18.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 97.8 m-70 -162.36 106.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 mtmm -82.99 31.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.495 ' SD ' ' N ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -91.42 -10.61 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.899 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.924 HD12 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -138.04 132.95 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -136.43 160.69 38.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.83 -147.96 14.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 37.0 pt -126.06 168.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.46 161.49 25.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.583 ' HD3' ' CE2' ' A' ' 68' ' ' PHE . 54.0 Cg_endo -69.73 135.08 29.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . 2.7 mtmp? -63.61 -36.62 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -59.36 -10.74 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.49 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.0 m-85 -101.93 -22.25 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.9 mm -94.98 132.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.431 ' HB2' HG23 ' A' ' 65' ' ' ILE . 75.3 t60 -104.17 101.79 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 45.2 mm -68.82 106.64 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.805 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.62 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.1 t-80 -101.11 117.79 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -118.83 169.59 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.572 HG23 ' HD2' ' A' ' 116' ' ' LYS . 6.4 t -144.08 130.0 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.488 ' CB ' ' OD2' ' A' ' 82' ' ' ASP . . . -68.44 135.99 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.535 HG13 ' CD2' ' A' ' 66' ' ' TYR . 3.7 pt -118.19 -29.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.581 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 57.3 m-85 -117.63 135.06 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -65.45 100.42 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 69' ' ' GLN . 49.2 t80 -91.09 157.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' CD ' ' C ' ' A' ' 69' ' ' GLN . 3.6 pp0? -129.18 141.47 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.84 164.65 23.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 t -114.49 -31.71 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 166.91 148.56 5.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.55 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -39.26 152.3 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.71 -3.59 7.72 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.335 -0.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.411 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 32.1 mt-30 -72.66 128.13 34.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.672 HD11 HD12 ' A' ' 104' ' ' LEU . 4.0 tp -121.01 141.68 50.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.8 p -79.1 163.77 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG11 ' A' ' 84' ' ' VAL . 18.6 mt -148.33 155.35 41.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -129.04 132.77 47.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -46.22 126.47 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.87 27.32 26.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.488 ' OD2' ' CB ' ' A' ' 64' ' ' ALA . 1.5 p30 -110.0 141.32 42.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 99' ' ' ILE . 72.7 t -107.27 110.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.743 HG11 HD21 ' A' ' 78' ' ' LEU . 25.5 m -106.41 143.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.485 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 3.1 mmm180 -83.49 115.55 22.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.35 116.71 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -104.1 -35.36 8.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -143.16 170.77 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.9 m -146.02 124.64 12.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 11.6 t -120.36 130.65 54.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.86 -121.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 63.2 m-20 -97.53 42.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.542 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 67.6 m95 -151.44 144.5 24.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 16.4 m-85 -95.98 174.38 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -135.99 121.77 19.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.42 -157.09 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 2.5 p90 -155.22 176.52 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.925 0.393 . . . . 0.0 110.927 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.462 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 11.7 tp -77.35 112.73 14.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.935 HD12 HG12 ' A' ' 83' ' ' VAL . 51.0 mt -59.38 -51.67 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 15.4 ptmt -54.56 -18.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 100' ' ' LYS . 79.8 m-70 -156.65 105.53 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 26.2 mtmt -84.26 30.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 103' ' ' MET . 0.9 OUTLIER -92.69 -10.73 36.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.672 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -137.34 128.73 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -134.65 156.91 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.18 -142.07 7.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.6 pt -134.13 161.02 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.655 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -152.94 161.05 30.11 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.8 Cg_endo -69.76 131.76 21.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.292 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 15.3 mtpp -62.71 -25.11 68.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.0 p -67.85 -11.29 58.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.3 m-85 -104.17 -17.06 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.429 HD11 ' CD1' ' A' ' 78' ' ' LEU . 43.3 mm -100.56 128.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -101.4 100.89 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.48 113.25 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.572 ' HD2' HG23 ' A' ' 63' ' ' VAL . 25.3 mtpt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.622 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -103.32 121.48 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -128.06 166.2 20.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 83' ' ' VAL . 14.5 t -142.29 132.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.1 128.19 35.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.6 pt -106.83 -13.37 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.491 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 52.1 m-85 -136.32 142.31 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.483 ' ND2' ' H ' ' A' ' 80' ' ' ILE . 24.7 m120 -70.48 101.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -89.45 154.2 20.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -134.82 126.15 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.14 172.63 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -105.39 -37.3 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 168.17 157.48 11.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.8 150.19 0.14 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.78 -4.33 8.26 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.359 0.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -68.96 143.16 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.67 HD11 HD12 ' A' ' 104' ' ' LEU . 12.5 tp -132.69 139.98 47.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 p -78.25 164.17 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.755 HD21 HG11 ' A' ' 84' ' ' VAL . 35.9 mt -153.66 153.12 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -129.86 134.71 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.483 ' H ' ' ND2' ' A' ' 67' ' ' ASN . 61.2 mt -44.97 134.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.02 20.06 63.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.23 142.68 43.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 63' ' ' VAL . 95.9 t -107.03 140.48 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.755 HG11 HD21 ' A' ' 78' ' ' LEU . 33.8 m -130.52 131.28 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -71.59 101.68 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.53 113.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.14 -42.5 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -137.03 173.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.3 m -146.12 115.67 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 73.7 m -114.3 129.48 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.78 -127.92 5.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.44 30.81 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.7 m95 -139.55 146.01 39.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 26.8 m-85 -93.91 176.95 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -138.81 121.84 16.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.34 -158.01 24.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.8 p90 -151.19 164.17 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.2 tp -69.76 114.67 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.8 mt -60.23 -54.68 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 14.9 ptmt -51.95 -16.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 91.9 m-70 -159.58 105.35 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.577 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 8.8 mtpm? -84.2 30.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 47.6 mmm -95.01 -10.75 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.67 HD12 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -133.94 113.73 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -121.97 143.3 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.02 -143.12 6.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 pt -131.26 167.43 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.367 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.6 OUTLIER -159.42 161.38 27.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 110.873 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.3 Cg_endo -69.72 134.82 28.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 3.1 mtpm? -66.49 -24.89 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.8 p -67.62 -11.3 57.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 7.2 m-85 -104.2 -21.29 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.63 133.28 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -104.62 102.77 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.22 103.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.796 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.864 0.364 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.855 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -92.14 127.58 37.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.842 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -135.05 170.85 22.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 83' ' ' VAL . 14.5 t -144.29 129.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.12 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.49 127.35 32.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.1 pt -107.34 -32.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.458 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 25.9 m-85 -114.97 127.59 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -58.53 115.19 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -105.95 135.12 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -118.32 118.5 31.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.39 173.99 16.93 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -109.3 -43.49 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.94 152.43 10.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.03 151.91 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.76 -5.74 9.04 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.358 0.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.39 137.37 52.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 4.5 tp -127.38 142.38 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -80.34 160.88 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.641 HD21 HG11 ' A' ' 84' ' ' VAL . 21.0 mt -148.93 155.56 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -129.57 134.73 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -48.43 133.84 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.42 15.67 65.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.75 130.28 55.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 63' ' ' VAL . 58.8 t -95.31 139.73 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.641 HG11 HD21 ' A' ' 78' ' ' LEU . 28.0 m -127.35 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -77.19 109.79 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 52.9 mt -80.27 128.23 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -115.98 -35.44 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 89' ' ' THR . 31.0 tp10 -146.24 150.94 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 52.6 m -133.76 122.37 23.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.83 137.34 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.3 -118.36 1.64 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.435 ' C ' ' HG3' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -111.01 40.07 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 0.0 110.83 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -145.22 137.58 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 10.6 m-85 -94.87 157.31 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' GLU . 26.0 tpt85 -120.74 134.44 55.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.09 -148.72 15.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 102' ' ' LYS . 4.6 p90 -155.7 177.66 11.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.597 HD23 ' HB2' ' A' ' 101' ' ' HIS . 10.1 tp -84.79 112.94 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.623 ' CD1' HG12 ' A' ' 83' ' ' VAL . 29.9 mt -55.36 -43.73 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 ptpt -68.77 -34.51 75.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.597 ' HB2' HD23 ' A' ' 98' ' ' LEU . 98.4 m-70 -135.02 73.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -46.55 -34.84 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.605 ' C ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -43.29 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 104' ' ' LEU . 1.3 mt -103.55 116.12 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -136.91 135.18 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.7 -143.49 5.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.415 HG22 ' HD2' ' A' ' 95' ' ' ARG . 22.7 pt -128.57 156.73 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.446 ' CD1' HG13 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -152.34 160.21 31.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 112' ' ' PHE . 53.3 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.512 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 9.2 mtmt -59.96 -36.25 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 t -59.9 -10.59 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.519 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 4.0 m-85 -102.26 -24.74 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.446 HG13 ' CD1' ' A' ' 108' ' ' PHE . 48.4 mm -94.49 130.92 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -105.27 110.24 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 41.8 mm -65.63 119.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.607 ' HG2' HD12 ' A' ' 115' ' ' ILE . 1.6 tpm_? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.733 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -101.31 117.97 36.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.645 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.19 165.99 15.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 83' ' ' VAL . 5.8 t -144.07 134.82 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.124 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 132.47 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.442 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 22.1 pt -111.11 -14.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.578 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 24.3 m-85 -140.17 139.97 35.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -66.69 103.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -90.3 140.56 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -129.69 110.03 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.88 -156.86 26.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.2 m -127.64 -46.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.65 158.52 22.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.16 155.08 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.76 -2.58 7.21 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.367 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.46 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 7.9 mt-30 -68.77 145.36 53.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -131.21 144.18 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.6 p -82.22 159.27 23.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.447 HD21 HG11 ' A' ' 84' ' ' VAL . 24.1 mt -145.18 154.64 42.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -129.55 132.5 46.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.5 mt -45.63 131.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.32 61.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.88 133.45 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 63' ' ' VAL . 84.1 t -99.34 135.01 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.447 HG11 HD21 ' A' ' 78' ' ' LEU . 21.1 m -123.63 139.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.474 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 18.7 mmm-85 -80.52 102.19 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.93 116.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -101.25 -35.44 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.59 174.02 12.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.2 m -142.58 116.81 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.24 108.01 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.4 -126.45 11.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.594 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 65.7 m-20 -89.18 42.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 65.8 m95 -156.29 136.16 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 22.0 m-85 -93.49 163.4 13.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.889 ' HG2' HG22 ' A' ' 107' ' ' ILE . 1.4 mtp-105 -124.34 161.25 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.65 21.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 3.0 p90 -157.09 173.76 16.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 9.8 tp -78.26 115.36 17.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.601 HD12 HG12 ' A' ' 83' ' ' VAL . 53.8 mt -58.75 -44.0 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.468 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -66.9 -13.21 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -157.54 105.42 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -82.95 7.89 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -132.07 130.61 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 29.5 mt-30 -143.35 151.91 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 168.24 -144.63 8.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.889 HG22 ' HG2' ' A' ' 95' ' ' ARG . 33.5 pt -124.85 154.44 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' A' ' 84' ' ' VAL . 0.6 OUTLIER -144.93 160.22 47.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.915 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.0 Cg_endo -69.78 141.98 46.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.54 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 19.4 mtpp -73.19 -20.62 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.2 m -75.41 -5.88 47.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.3 m-85 -111.25 -11.91 14.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.45 133.88 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -113.5 102.23 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.607 HD12 ' HG2' ' A' ' 60' ' ' ARG . 21.9 mm -64.7 103.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.818 0.342 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.699 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.1 t-80 -107.59 122.29 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.871 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -125.94 165.3 19.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 83' ' ' VAL . 15.5 t -144.02 127.22 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.65 126.81 29.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.479 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.3 pt -102.88 -26.39 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CD2' HG13 ' A' ' 65' ' ' ILE . 65.2 m-85 -125.11 132.36 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -59.56 110.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -97.32 131.33 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.58 107.24 10.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.35 -161.42 30.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.2 m -121.85 -48.79 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.69 153.48 17.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.33 154.63 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.82 -2.25 7.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.319 0.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.465 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 33.3 mt-30 -70.56 122.13 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.838 HD11 HD12 ' A' ' 104' ' ' LEU . 7.8 tp -109.4 142.61 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -79.84 159.76 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.534 HD21 HG11 ' A' ' 84' ' ' VAL . 18.0 mt -148.41 156.53 42.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -130.02 137.68 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 99.2 mt -49.17 130.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.66 56.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -112.0 140.23 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 63' ' ' VAL . 46.0 t -107.16 140.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.718 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 28.7 m -127.53 130.94 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -68.02 99.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.84 113.57 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -97.11 -42.13 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -141.02 172.5 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 m -140.77 134.16 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 m -136.14 136.62 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.02 -120.01 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.522 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 26.4 t0 -109.84 38.99 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.531 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.9 m95 -148.12 144.14 27.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 23.2 m-85 -93.98 160.22 14.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -126.6 111.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.94 -145.8 4.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.482 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 3.1 p90 -158.03 172.21 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 101' ' ' HIS . 11.8 tp -77.99 119.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.0 mt -61.81 -53.27 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.496 ' HE3' ' CD2' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -56.62 -32.23 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.656 ' HB2' HD23 ' A' ' 98' ' ' LEU . 95.2 m-70 -135.0 91.36 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.482 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 23.0 mttp -82.17 37.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.477 ' HA ' ' HE3' ' A' ' 103' ' ' MET . 0.0 OUTLIER -104.7 -6.66 20.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -139.9 121.44 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -120.95 151.95 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.5 -141.24 5.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.447 HG22 ' HG2' ' A' ' 95' ' ' ARG . 31.3 pt -136.06 166.59 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.376 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.718 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -159.04 161.23 28.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.0 Cg_endo -69.7 127.74 15.07 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 56.0 mtpt -59.19 -31.21 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.8 m -63.31 -10.56 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.6 m-85 -103.23 -18.32 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.8 128.66 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -98.05 100.96 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.469 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 22.3 mm -69.39 100.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.877 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.677 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -93.95 119.64 33.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.492 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -128.51 167.73 20.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.874 HG22 HG22 ' A' ' 83' ' ' VAL . 10.8 t -141.12 130.71 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 132.67 47.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.4 pt -111.32 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -128.59 137.72 51.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -65.92 110.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -107.07 126.31 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -113.25 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.77 -179.56 49.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t -116.58 -36.03 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.86 150.01 6.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.82 153.71 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.627 0.727 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.72 -3.6 7.73 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.363 -0.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.435 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 39.2 mt-30 -70.97 127.88 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.94 HD11 HD12 ' A' ' 104' ' ' LEU . 8.4 tp -117.73 138.59 51.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.4 p -77.67 165.84 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 113' ' ' ILE . 17.7 mt -150.32 157.71 43.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.15 134.96 48.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -48.33 131.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.91 21.43 59.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.04 136.24 51.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.874 HG22 HG22 ' A' ' 63' ' ' VAL . 86.4 t -100.11 134.89 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.663 HG11 HD21 ' A' ' 78' ' ' LEU . 28.4 m -122.63 138.25 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.33 96.08 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 119.41 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -105.09 -40.22 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.5 149.99 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.5 m -132.9 115.28 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 5.8 t -122.82 136.75 54.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.48 -135.29 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.423 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 3.7 m-20 -96.61 41.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.423 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 65.9 m95 -151.74 143.44 23.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 19.7 m-85 -93.87 170.71 9.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.64 114.26 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.93 -145.44 5.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.44 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.465 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 p90 -157.02 164.5 37.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.55 HD12 HG12 ' A' ' 84' ' ' VAL . 9.2 tp -73.62 112.72 9.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.745 HD12 HG12 ' A' ' 83' ' ' VAL . 52.8 mt -53.63 -54.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.592 ' HG3' ' CD2' ' A' ' 101' ' ' HIS . 1.3 ptmm? -52.11 -35.72 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.592 ' CD2' ' HG3' ' A' ' 100' ' ' LYS . 87.8 m-70 -133.27 101.78 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -80.25 4.91 16.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 34.5 mtm -76.51 -5.85 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.94 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.56 137.09 39.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.405 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 15.8 mt-30 -147.29 139.0 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -179.17 -147.08 7.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.0 pt -126.22 157.35 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 111.107 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.544 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -148.88 161.15 33.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.8 Cg_endo -69.77 124.18 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 5.8 mtpm? -56.82 -23.86 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 m -68.88 -10.97 59.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 9.1 m-85 -105.22 -16.99 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.702 HD11 ' CD1' ' A' ' 78' ' ' LEU . 48.1 mm -98.01 135.69 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -110.7 102.65 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 17.6 mm -69.28 119.64 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.498 ' HD2' HG23 ' A' ' 63' ' ' VAL . 15.2 mtpp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.592 ' HB3' HD12 ' A' ' 86' ' ' ILE . 9.8 ttm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.459 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -109.45 117.78 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.41 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -129.97 171.99 20.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 83' ' ' VAL . 11.3 t -141.24 129.02 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 121.11 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.475 HG13 ' CD2' ' A' ' 66' ' ' TYR . 25.2 pt -96.4 -29.78 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CD2' HG13 ' A' ' 65' ' ' ILE . 55.4 m-85 -119.23 126.42 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.452 ' N ' HG13 ' A' ' 80' ' ' ILE . 10.3 p30 -62.43 105.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -94.7 151.13 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -146.79 111.17 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 -146.8 16.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -127.33 -49.76 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.11 157.21 22.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.65 154.05 0.15 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.718 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.77 -4.16 8.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.375 0.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.424 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 36.8 mt-30 -68.94 128.27 36.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.673 HD23 ' CD1' ' A' ' 108' ' ' PHE . 16.6 tp -113.65 140.67 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -85.1 164.47 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.537 ' CD1' HD11 ' A' ' 113' ' ' ILE . 18.2 mt -152.86 155.07 36.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -128.69 137.51 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 67' ' ' ASN . 69.4 mt -52.95 131.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.82 66.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.08 133.73 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 63' ' ' VAL . 70.5 t -97.28 146.49 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 98' ' ' LEU . 18.4 m -135.84 144.85 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 16.2 mmt85 -82.36 101.65 10.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.592 HD12 ' HB3' ' A' ' 60' ' ' ARG . 77.2 mt -70.68 115.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -96.37 -43.55 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -137.15 170.16 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.449 HG23 ' CD1' ' A' ' 94' ' ' TYR . 25.1 m -139.57 108.72 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLY . 6.2 t -103.08 117.43 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.32 -122.45 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 10.1 m-20 -91.78 40.35 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 39.3 m95 -152.14 136.55 16.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.52 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 24.2 m-85 -95.79 161.58 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -127.31 147.66 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.04 -148.76 20.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.0 p90 -158.0 178.97 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 84' ' ' VAL . 36.2 tp -85.4 129.98 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.464 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 1.7 mt -71.67 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.55 ' HE2' ' CD2' ' A' ' 101' ' ' HIS . 17.0 ptmt -49.16 -22.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 100' ' ' LYS . 45.9 m-70 -157.93 108.22 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 31.5 mttp -85.24 43.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.489 ' CE ' ' HB3' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -100.01 -25.75 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.673 ' O ' HD12 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -118.31 129.24 55.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.515 ' C ' HD13 ' A' ' 76' ' ' LEU . 3.2 mt-30 -139.38 150.13 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.87 -136.67 4.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.5 pt -131.12 160.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.673 ' CD1' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -152.37 160.13 31.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.77 135.43 30.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 39.7 mtpt -64.68 -35.85 82.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.0 p -59.54 -10.69 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.496 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 12.4 m-85 -102.62 -23.78 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 78' ' ' LEU . 33.7 mm -91.19 125.68 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . 0.464 ' HB2' HG23 ' A' ' 65' ' ' ILE . 84.6 t60 -104.05 97.81 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.61 124.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.863 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 14.4 ttm180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.802 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -100.46 124.62 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.79 169.84 20.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.516 HG21 ' HD2' ' A' ' 116' ' ' LYS . 16.6 t -144.23 126.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB2' ' OD1' ' A' ' 82' ' ' ASP . . . -66.04 121.97 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 pt -103.72 -32.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.565 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 52.3 m-85 -116.19 130.65 56.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -64.02 112.55 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -106.79 131.95 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -115.05 113.14 23.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -176.95 33.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -118.88 -44.31 2.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.56 149.45 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.563 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.12 150.29 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.73 -2.62 7.19 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.375 -0.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.418 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 63.3 mt-30 -68.46 137.41 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.678 HD23 ' CD2' ' A' ' 108' ' ' PHE . 13.6 tp -128.1 138.57 52.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 p -80.08 166.85 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.701 HD21 HG11 ' A' ' 84' ' ' VAL . 12.2 mt -151.03 154.63 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 44.6 mt-30 -129.08 133.45 47.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.2 mt -54.19 121.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.1 19.4 21.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.54 ' OD1' ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -109.79 148.87 30.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.802 HG11 ' NE2' ' A' ' 61' ' ' HIS . 92.9 t -112.22 112.94 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.701 HG11 HD21 ' A' ' 78' ' ' LEU . 21.8 m -108.05 133.08 54.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -71.1 111.4 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 91.0 mt -80.83 114.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -95.94 -43.81 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -140.23 174.12 10.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.499 HG23 ' CD1' ' A' ' 94' ' ' TYR . 75.3 m -144.83 115.69 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.5 m -119.46 115.56 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.52 -126.67 28.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.585 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 1.1 m-20 -96.47 37.94 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.585 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 31.0 m95 -153.47 137.23 16.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.615 ' CE2' ' CB ' ' A' ' 110' ' ' LYS . 12.4 m-85 -94.0 174.35 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -135.82 109.11 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.32 -147.66 5.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.9 p90 -157.55 161.28 38.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.45 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 20.2 tp -70.5 115.5 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.787 HD12 HG12 ' A' ' 83' ' ' VAL . 70.2 mt -57.46 -55.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.45 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 10.1 ptmt -52.76 -26.03 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 98' ' ' LEU . 37.7 m-70 -144.63 104.98 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -83.58 30.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.5 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 9.7 ptm -107.15 -18.33 13.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 1.1 mp -111.95 101.1 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -115.39 148.55 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.2 -141.8 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.41 164.12 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.678 ' CD2' HD23 ' A' ' 76' ' ' LEU . 2.4 p90 -160.74 159.9 25.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.94 3.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.615 ' CB ' ' CE2' ' A' ' 94' ' ' TYR . 17.0 ptmt -53.17 -35.0 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.5 p -57.37 -14.41 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.6 m-85 -98.65 -13.42 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 78' ' ' LEU . 38.5 mm -100.52 126.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -95.16 110.52 22.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.449 ' CG2' ' HD3' ' A' ' 60' ' ' ARG . 29.2 mm -74.85 107.45 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.516 ' HD2' HG21 ' A' ' 63' ' ' VAL . 9.0 mtpm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.866 0.365 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.78 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -90.81 121.15 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -125.77 158.0 19.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.96 HG22 HG22 ' A' ' 83' ' ' VAL . 9.3 t -139.83 127.74 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 134.81 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.4 pt -112.68 -28.52 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.438 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 41.5 m-85 -120.33 131.2 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.563 ' ND2' ' H ' ' A' ' 80' ' ' ILE . 8.8 m120 -60.1 115.0 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -108.75 138.17 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -122.98 116.84 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.46 -173.53 22.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -119.83 -48.49 2.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -175.97 153.58 15.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.545 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.97 154.15 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.69 . . . . 0.0 111.12 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.5 Cg_endo -69.8 -3.45 7.76 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.343 0.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.435 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 20.5 mt-30 -69.0 144.1 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.743 HD11 HD12 ' A' ' 104' ' ' LEU . 8.2 tp -132.0 140.66 49.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -77.76 166.87 22.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.62 HD21 HG11 ' A' ' 84' ' ' VAL . 20.5 mt -155.67 152.91 29.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -128.31 132.98 48.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.563 ' H ' ' ND2' ' A' ' 67' ' ' ASN . 77.3 mt -49.44 123.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 20.89 27.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.484 ' OD1' HG13 ' A' ' 84' ' ' VAL . 1.1 p30 -108.96 138.95 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.96 HG22 HG22 ' A' ' 63' ' ' VAL . 77.2 t -105.5 111.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 78' ' ' LEU . 12.6 m -108.99 144.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -81.88 122.99 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.84 122.44 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.13 -41.87 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -133.54 151.4 51.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.422 HG23 ' HE2' ' A' ' 110' ' ' LYS . 98.5 m -134.71 112.58 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 53.8 m -126.45 139.72 53.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.16 -124.96 3.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 1.5 m-20 -108.75 45.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 52.0 m95 -154.12 137.21 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 23.0 m-85 -94.14 162.14 13.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.448 ' HG2' HG22 ' A' ' 107' ' ' ILE . 0.8 OUTLIER -132.01 113.86 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.77 -143.23 4.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -157.95 164.72 36.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.55 HD21 ' HD2' ' A' ' 100' ' ' LYS . 37.8 tp -74.94 117.56 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.955 HD12 HG12 ' A' ' 83' ' ' VAL . 35.4 mt -61.14 -55.19 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.55 ' HD2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -49.83 -28.22 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.403 ' HB2' HD23 ' A' ' 98' ' ' LEU . 97.5 m-70 -149.28 105.23 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -84.07 31.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 27.8 mtp -95.81 -9.35 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.743 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -133.43 123.8 25.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -130.67 150.07 52.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.91 10.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.448 HG22 ' HG2' ' A' ' 95' ' ' ARG . 45.9 pt -127.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.543 ' CD2' HD23 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -159.69 161.22 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.86 9.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 5.6 mtpm? -54.56 -32.81 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -60.36 -12.69 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 6.1 m-85 -102.66 -17.37 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -99.29 128.72 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -104.24 114.62 28.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.19 117.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.842 0.353 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.826 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-160 -107.39 124.62 50.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.29 171.19 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 83' ' ' VAL . 5.4 t -146.03 130.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -67.25 124.96 24.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 pt -104.05 -19.19 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.506 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 49.1 m-85 -132.62 128.89 38.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -58.14 107.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -101.08 127.26 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -116.71 110.44 18.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.55 -166.22 27.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -118.2 -48.45 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.77 158.3 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.25 149.52 0.18 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -7.84 10.18 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.337 -0.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.74 137.49 52.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.87 HD11 HD12 ' A' ' 104' ' ' LEU . 7.9 tp -126.29 140.0 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -81.33 156.38 25.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.675 HD21 HG11 ' A' ' 84' ' ' VAL . 20.0 mt -143.99 156.65 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 45.6 mt-30 -128.37 139.21 52.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.4 mt -52.68 137.54 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.69 15.22 81.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.73 132.49 52.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.826 HG11 ' NE2' ' A' ' 61' ' ' HIS . 74.6 t -97.23 131.48 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.675 HG11 HD21 ' A' ' 78' ' ' LEU . 31.6 m -121.09 142.58 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -84.36 104.19 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.22 132.03 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.46 -32.22 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -146.46 145.76 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -130.56 117.41 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 69.0 m -124.94 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.33 -125.1 9.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.5 26.87 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -133.07 145.39 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 10.7 m-85 -96.6 165.14 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -133.42 110.85 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.6 -150.01 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 4.3 p90 -157.05 161.52 39.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.404 . . . . 0.0 110.918 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.494 ' HA ' HG12 ' A' ' 84' ' ' VAL . 8.1 tp -70.32 113.23 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.707 HD12 HG12 ' A' ' 83' ' ' VAL . 58.9 mt -55.38 -49.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.465 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 7.8 ptpp? -59.58 -22.92 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.582 ' HB2' HD21 ' A' ' 104' ' ' LEU . 98.6 m-70 -147.51 105.08 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -83.9 2.13 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.42 ' HG2' HD23 ' A' ' 104' ' ' LEU . 22.5 ptp -72.26 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.87 HD12 HD11 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -128.64 131.96 48.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -145.08 143.24 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.63 -142.41 6.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 pt -127.6 164.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -157.73 160.96 29.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.4 Cg_endo -69.83 123.66 10.3 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.9 mtpm? -57.45 -23.46 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.0 p -71.62 -8.56 54.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.9 m-85 -105.62 -15.21 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.663 HD11 ' CD1' ' A' ' 78' ' ' LEU . 48.5 mm -102.24 126.3 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -99.92 102.96 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.85 111.03 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.844 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.844 0.354 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.82 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -105.65 119.24 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -122.9 157.09 17.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 1.018 HG22 HG22 ' A' ' 83' ' ' VAL . 19.1 t -138.83 129.01 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 130.8 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -109.1 -16.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -132.64 145.78 51.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -71.32 101.92 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -96.19 124.6 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -123.26 111.26 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.63 -143.07 13.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 m -133.94 -44.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.09 156.66 15.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.19 151.18 0.13 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.82 -3.19 7.63 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.329 0.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 28.7 mt-30 -73.67 123.94 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 104' ' ' LEU . 5.5 tp -112.67 139.61 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -77.36 164.58 25.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 113' ' ' ILE . 13.5 mt -153.38 153.35 32.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.99 136.69 49.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -47.06 132.87 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.81 15.56 65.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.97 136.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 1.018 HG22 HG22 ' A' ' 63' ' ' VAL . 63.0 t -105.02 138.29 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 17.6 m -129.78 142.0 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -80.06 104.57 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.6 mt -73.85 124.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.34 -36.42 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 12.9 tt0 -148.86 158.74 44.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 125.02 43.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -111.27 97.96 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.74 -124.94 37.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.472 ' OD2' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -83.9 13.16 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.472 ' NE1' ' OD2' ' A' ' 92' ' ' ASP . 10.2 m95 -128.09 155.09 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 30.7 m-85 -98.97 -178.05 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 2.7 tmm_? -143.58 110.56 5.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.28 -152.27 8.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.5 p90 -155.25 177.94 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.929 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.966 HD23 ' HB2' ' A' ' 101' ' ' HIS . 6.5 tp -83.31 115.56 22.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.607 ' CD1' HG12 ' A' ' 83' ' ' VAL . 32.7 mt -59.66 -40.72 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -29.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.966 ' HB2' HD23 ' A' ' 98' ' ' LEU . 96.4 m-70 -134.96 66.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -52.82 -25.32 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 28.4 mtm -42.02 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -117.08 125.0 50.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -134.5 142.27 46.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.74 -146.1 7.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.4 pt -126.24 167.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.485 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -160.16 161.04 26.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 132.94 24.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.561 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 36.6 mtpt -63.38 -29.19 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -62.34 -17.63 59.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.71 -13.16 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 78' ' ' LEU . 43.4 mm -99.15 128.11 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -102.69 97.97 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.59 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -134.29 134.81 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -140.48 141.98 35.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.46 -153.58 28.04 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.505 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -89.86 170.09 10.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -126.27 172.02 10.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.8 38.75 0.21 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.525 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 11.0 mtp-105 -131.3 44.55 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.88 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' C ' HD13 ' A' ' 10' ' ' LEU . 50.8 tp -116.84 100.29 7.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.874 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -127.95 176.86 7.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -109.27 -4.0 16.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.59 75.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -57.14 132.94 54.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -165.61 116.06 1.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.783 ' H ' HD12 ' A' ' 15' ' ' ILE . 5.0 mp -46.71 146.23 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -74.26 71.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 18' ' ' PRO . 87.3 mt -99.99 138.61 20.35 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.651 0.739 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.6 Cg_endo -69.77 159.04 54.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.323 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -50.81 -40.67 56.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -141.5 150.48 57.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.619 0.723 . . . . 0.0 111.056 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.584 ' HB3' ' CD2' ' A' ' 66' ' ' TYR . 53.4 Cg_endo -69.82 144.75 54.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.264 . . . . 0.0 112.326 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 168.05 22.68 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.2 Cg_endo -69.77 110.05 2.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 25' ' ' PRO . 86.3 mt -34.42 138.66 0.32 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.621 0.724 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.6 Cg_endo -69.76 177.35 5.66 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.683 2.255 . . . . 0.0 112.377 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.5 141.99 28.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -52.33 147.29 14.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.736 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.417 ' HD3' ' CD1' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.71 157.39 60.65 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.66 2.24 . . . . 0.0 112.326 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.4 p -57.24 173.9 0.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -42.39 106.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.415 ' CE1' ' HG2' ' A' ' 28' ' ' PRO . 24.1 m-85 -43.39 151.07 0.18 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.23 46.73 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -67.71 174.81 3.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.2 m -156.97 121.43 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.21 -161.53 35.36 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 132.3 23.12 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.674 2.25 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.0 t -46.33 122.79 4.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.0 m -87.09 138.34 31.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.86 -31.25 0.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.767 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.6 pp -90.03 24.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.861 0.362 . . . . 0.0 111.15 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.62 -43.01 93.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.9 -44.0 96.71 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.472 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -58.96 -47.64 84.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.892 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.25 128.43 5.93 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.1 m -156.97 127.61 6.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 t -72.16 157.45 37.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 130.92 78.44 0.18 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.4 p -117.2 41.91 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.1 t -94.3 142.91 26.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -155.74 -112.97 0.43 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.493 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 52.6 p -52.6 115.36 1.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.36 . . . . 0.0 110.87 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.7 m -87.98 -56.23 3.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -90.07 -138.98 7.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.546 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 m -111.08 83.68 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.822 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.5 p -74.33 -48.19 29.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.826 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.43 84.7 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -85.68 49.2 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -124.18 80.31 1.82 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -90.64 172.23 8.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.472 ' HD3' HG21 ' A' ' 115' ' ' ILE . 18.1 ttm-85 -108.08 138.5 44.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.71 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -95.38 118.04 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.536 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.92 169.66 16.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.867 HG22 HG22 ' A' ' 83' ' ' VAL . 14.2 t -144.86 130.5 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.865 0.364 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.05 126.44 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.107 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.412 ' C ' HG12 ' A' ' 80' ' ' ILE . 18.3 pt -105.2 -25.77 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.584 ' CD2' ' HB3' ' A' ' 21' ' ' PRO . 48.8 m-85 -122.97 137.33 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -67.71 111.32 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -99.5 135.65 40.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -119.55 111.3 17.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -105.27 -176.45 24.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 m -118.89 -41.61 2.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 110.808 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.94 154.63 13.17 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.29 153.78 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.4 Cg_endo -69.73 -2.77 7.28 Favored 'Cis proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 -1.793 . . . . 0.0 112.365 0.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.447 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 43.1 mt-30 -70.81 133.38 46.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -122.21 140.15 52.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.2 p -78.67 156.31 29.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.826 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.4 mt -146.65 152.78 39.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -129.58 133.9 47.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.412 HG12 ' C ' ' A' ' 65' ' ' ILE . 88.9 mt -47.45 132.15 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.11 15.35 59.21 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.433 ' HB3' HD11 ' A' ' 98' ' ' LEU . 1.4 m-20 -109.79 139.98 44.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 110.83 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.867 HG22 HG22 ' A' ' 63' ' ' VAL . 90.5 t -105.34 137.84 33.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.629 HG12 HD12 ' A' ' 98' ' ' LEU . 32.1 m -124.77 144.84 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.108 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -83.39 100.62 10.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 60' ' ' ARG . 45.4 mt -73.49 119.17 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -104.52 -42.25 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -135.68 171.7 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 72.9 m -145.55 113.53 6.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 52.8 t -119.1 133.85 55.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.842 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -130.21 5.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.434 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 54.7 m-20 -100.46 35.99 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 41.2 m95 -145.12 141.46 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.524 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 36.2 m-85 -94.07 161.12 14.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -128.44 119.05 24.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -179.65 -145.34 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.536 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.466 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 4.1 p90 -157.97 168.61 26.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.919 0.39 . . . . 0.0 110.937 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.629 HD12 HG12 ' A' ' 84' ' ' VAL . 10.0 tp -77.41 112.95 14.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.914 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.822 HD12 HG12 ' A' ' 83' ' ' VAL . 31.3 mt -55.34 -42.84 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.472 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 12.7 ptpt -68.45 -34.71 76.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.609 ' HB2' HD23 ' A' ' 98' ' ' LEU . 99.7 m-70 -135.0 85.29 2.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.458 ' CD ' ' H ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -64.51 -22.64 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 5.7 ptm -48.24 -20.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -120.26 125.76 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 66.6 mt-30 -134.98 152.59 51.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.93 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.14 -146.23 10.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.445 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 34.6 pt -127.54 167.75 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 111.118 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.547 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -159.53 160.82 27.87 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 133.46 25.61 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.291 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.524 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.0 mtpt -64.38 -26.9 68.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.5 m -66.65 -13.03 60.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.3 m-85 -103.74 -14.57 16.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.0 mm -98.76 125.01 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -98.63 98.48 9.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.472 HG21 ' HD3' ' A' ' 60' ' ' ARG . 37.0 mm -67.41 111.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.553 ' HD2' HG23 ' A' ' 63' ' ' VAL . 27.4 mtpt -85.04 128.53 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -131.41 46.47 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.7 m -62.9 -10.44 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.18 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 1' ' ' GLY . 33.6 t -37.15 104.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.877 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -140.2 158.1 44.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.72 179.43 36.39 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.521 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.5 m -101.06 82.71 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 t -64.5 139.2 58.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.07 -155.43 26.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.438 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -173.8 144.84 1.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.33 114.25 12.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.4 mp -125.34 132.61 52.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -63.41 -8.03 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.64 38.3 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -70.87 112.64 7.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -165.1 105.29 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.3 mp -94.8 137.15 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.115 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -117.85 91.68 3.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 18' ' ' PRO . 66.1 mt -71.59 138.63 83.37 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.606 0.717 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.6 Cg_endo -69.76 174.89 8.85 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.371 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -77.89 -42.35 33.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.06 147.87 52.8 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.569 0.699 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.5 Cg_endo -69.72 142.9 49.38 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.352 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 168.44 21.53 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.715 2.276 . . . . 0.0 112.333 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.71 18.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.727 2.284 . . . . 0.0 112.324 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.56 HG23 ' HD2' ' A' ' 25' ' ' PRO . 75.0 mt -73.82 136.43 77.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.099 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.56 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.82 -173.22 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.286 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' CD ' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -77.25 139.41 39.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.594 ' HG2' ' CH2' ' A' ' 93' ' ' TRP . 40.2 mt-10 -78.28 140.04 60.63 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.554 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 54.0 Cg_endo -69.68 157.16 61.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.372 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 30' ' ' ASN . 68.8 m -87.1 148.74 25.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 29' ' ' SER . 22.1 m120 -34.95 109.5 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 28' ' ' PRO . 46.9 m-85 -81.21 170.31 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -54.17 97.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.87 163.63 15.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.6 m -149.08 125.0 10.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.48 172.68 28.28 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 112.65 3.14 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.671 2.248 . . . . 0.0 112.304 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.3 m -98.86 82.05 2.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.6 m 49.09 43.49 22.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.906 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 109.82 172.12 20.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -138.99 160.75 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.751 0.31 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -118.83 89.07 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 153.45 -153.82 25.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -133.24 100.39 4.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 162.03 73.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.515 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.4 t -124.12 129.83 51.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.377 . . . . 0.0 110.845 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.6 m -167.13 170.64 11.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 48' ' ' SER . . . 45.41 -111.08 0.52 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' GLY . 29.8 p 36.75 42.92 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.885 0.374 . . . . 0.0 110.871 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.4 t -95.41 88.07 4.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.75 81.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.7 p -80.36 -50.16 10.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.389 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.4 m -50.39 130.88 24.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.807 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.1 72.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 m -120.69 151.32 39.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -134.21 166.08 23.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -106.22 107.62 2.78 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.499 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.66 42.26 1.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? 65.19 48.04 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -48.13 149.85 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -111.64 152.21 27.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.89 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -99.27 118.87 36.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -124.04 168.67 16.17 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.488 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.85 HG22 HG22 ' A' ' 83' ' ' VAL . 11.8 t -143.42 131.72 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.088 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.98 130.69 41.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.043 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.411 HG13 ' CD2' ' A' ' 66' ' ' TYR . 14.6 pt -107.73 -16.91 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 63.2 m-85 -136.15 140.52 43.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -66.42 104.4 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -90.46 133.0 35.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 tp60 -128.23 107.59 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.11 -153.06 27.93 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 22.6 t -121.67 -42.79 2.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.927 0.394 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.13 162.21 24.79 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.544 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.69 151.26 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.574 0.702 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -3.81 7.92 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.357 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 12.3 mt-30 -69.9 140.54 53.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tp -129.52 141.49 50.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.7 p -77.81 162.04 27.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.639 HD21 HG11 ' A' ' 84' ' ' VAL . 19.7 mt -147.39 156.14 42.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -128.39 136.46 50.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.5 mt -48.75 124.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 93.14 19.38 36.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.462 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.66 133.01 54.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.894 HG12 HD12 ' A' ' 99' ' ' ILE . 96.2 t -101.15 128.19 53.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.639 HG11 HD21 ' A' ' 78' ' ' LEU . 27.7 m -119.72 141.99 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -83.38 110.52 18.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 25.3 mt -80.33 128.27 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.149 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -113.26 -39.52 4.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.63 149.06 47.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 7.4 m -119.61 114.83 22.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.465 ' HB3' ' CE2' ' A' ' 31' ' ' TYR . 72.4 m -116.19 116.87 28.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.39 -132.74 4.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 5.7 t70 -88.94 43.45 1.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.823 0.344 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.594 ' CH2' ' HG2' ' A' ' 27' ' ' GLU . 52.3 m95 -156.29 136.78 13.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.511 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 44.2 m-85 -93.99 157.48 16.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -122.77 116.87 24.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.82 -146.04 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -157.74 163.73 37.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.938 0.399 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.614 ' HA ' HG12 ' A' ' 84' ' ' VAL . 7.3 tp -72.65 113.54 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.894 HD12 HG12 ' A' ' 83' ' ' VAL . 61.6 mt -60.22 -44.49 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.143 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.613 ' HE2' HD21 ' A' ' 98' ' ' LEU . 8.4 pttt -64.17 -10.17 21.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.924 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 100' ' ' LYS . 27.8 m-70 -162.87 107.57 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -84.37 28.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 33.4 mtm -103.68 -2.7 26.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -135.02 117.01 15.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -126.19 150.58 48.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.498 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 167.91 -147.39 11.53 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.482 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 10.0 pt -131.86 168.22 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -160.28 161.38 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.672 0.749 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.75 135.24 29.99 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.754 2.303 . . . . 0.0 112.366 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 3.4 mtmm -63.84 -31.7 72.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.6 t -60.82 -12.64 11.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.52 ' CE1' HG12 ' A' ' 24' ' ' ILE . 6.2 m-85 -104.37 -19.82 13.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 78' ' ' LEU . 37.9 mm -95.68 121.51 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.083 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -95.55 95.93 8.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 50.1 mm -65.02 115.19 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -96.21 151.99 18.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -128.19 83.61 2.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.1 t -76.89 -58.03 5.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 p -127.7 149.03 50.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -159.8 165.92 31.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.39 95.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -63.2 163.31 10.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.888 0.375 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -153.18 165.14 36.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.6 117.09 1.22 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.436 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -102.83 -175.14 2.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 9' ' ' LEU . 1.5 pp -165.42 134.01 3.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 1.9 mm? -98.82 176.42 5.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.493 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.73 109.03 0.7 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.862 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 11' ' ' ASP . 16.8 tp -35.76 -48.61 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 12' ' ' LEU . 37.3 mt-10 -36.21 146.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -132.79 100.12 4.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.699 HG22 ' H ' ' A' ' 16' ' ' GLN . 4.6 mm -106.84 173.73 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.699 ' H ' HG22 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.5 37.09 0.9 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.938 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.543 HG23 ' HD2' ' A' ' 18' ' ' PRO . 59.6 mt -110.96 136.03 20.8 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.698 0.761 . . . . 0.0 111.1 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.543 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.5 Cg_endo -69.79 149.4 66.68 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -52.43 -40.37 62.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.564 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -132.24 159.74 70.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.601 0.715 . . . . 0.0 111.1 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.564 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.4 Cg_endo -69.72 125.95 12.76 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.686 2.258 . . . . 0.0 112.368 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 163.61 37.62 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.738 2.292 . . . . 0.0 112.304 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 115.01 3.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.386 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 25' ' ' PRO . 80.5 mt -40.45 138.45 1.21 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.575 0.703 . . . . 0.0 111.145 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.4 Cg_endo -69.78 -174.29 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.642 2.228 . . . . 0.0 112.355 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.07 133.21 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -55.64 143.83 57.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.73 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.517 ' HD3' ' CG ' ' A' ' 93' ' ' TRP . 53.6 Cg_endo -69.83 147.43 62.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.364 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.0 p -130.36 168.96 16.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.81 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 52.83 45.21 29.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -44.98 150.66 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -89.34 -36.54 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.502 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 13.3 p90 -84.91 35.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 85.1 p -126.22 101.99 7.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.96 -175.82 44.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.476 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 0.22 5.92 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.691 2.261 . . . . 0.0 112.316 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.0 t 63.48 40.88 7.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.9 p -161.3 160.02 29.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.76 -173.02 45.98 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.421 HD11 ' HB2' ' A' ' 48' ' ' SER . 7.4 pt -63.4 -8.53 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.785 0.326 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' CD ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -103.77 100.71 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -155.19 -119.79 0.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -86.01 86.86 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.97 131.5 1.35 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.7 p -38.23 -43.15 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.7 t -61.82 134.42 56.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.908 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.19 -171.2 12.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.421 ' HB2' HD11 ' A' ' 40' ' ' ILE . 27.2 t -122.88 155.26 37.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.923 0.392 . . . . 0.0 110.829 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.8 p -173.96 157.27 2.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -145.42 -163.22 10.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.3 m -100.33 -51.06 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.0 p -122.82 138.13 54.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.79 -90.21 2.12 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 m -104.21 119.91 40.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 31.6 m -108.89 93.95 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.81 130.56 8.85 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.88 169.57 17.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.3 tttt 40.63 41.03 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -63.38 177.48 0.65 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 22.7 ttm-85 -88.87 154.2 20.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.651 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -112.51 118.35 34.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.08 161.74 17.21 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.511 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 83' ' ' VAL . 16.3 t -142.5 127.29 16.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.779 0.323 . . . . 0.0 111.143 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.87 123.73 20.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.3 pt -104.96 -19.73 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.438 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 37.6 m-85 -126.29 140.19 52.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.967 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -69.34 108.85 3.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.401 ' HE2' HD13 ' A' ' 24' ' ' ILE . 31.4 t80 -103.12 135.94 43.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -134.64 117.18 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -109.79 -152.94 14.28 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 29.0 t -120.42 -47.08 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 178.03 158.04 20.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.6 152.94 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.594 0.711 . . . . 0.0 111.132 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.76 -2.98 7.43 Favored 'Cis proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.346 0.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.441 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 31.6 mt-30 -70.95 128.34 35.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.9 tp -114.33 138.63 50.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.6 p -77.1 160.23 29.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.615 ' CD1' HD11 ' A' ' 113' ' ' ILE . 26.5 mt -150.55 148.44 28.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -130.12 138.91 50.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 79.3 mt -48.27 136.82 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.94 70.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.412 ' HB3' HD11 ' A' ' 98' ' ' LEU . 1.2 m-20 -109.44 134.16 52.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.856 0.36 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.026 HG22 HG22 ' A' ' 63' ' ' VAL . 85.0 t -104.71 138.98 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.657 HG12 ' HA ' ' A' ' 98' ' ' LEU . 24.3 m -129.62 145.1 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -84.02 100.02 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.5 mt -69.36 117.01 11.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -108.48 -38.53 5.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.489 ' HB2' ' CG ' ' A' ' 95' ' ' ARG . 3.0 mm-40 -127.55 164.62 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.6 m -145.46 115.32 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.424 ' O ' ' C ' ' A' ' 91' ' ' GLY . 92.9 m -122.47 130.35 52.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.08 -130.97 0.85 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.429 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.553 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 57.0 m-20 -93.08 41.52 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.553 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 44.0 m95 -152.42 143.57 23.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.502 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 31.7 m-85 -94.08 172.65 8.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.489 ' CG ' ' HB2' ' A' ' 88' ' ' GLU . 40.5 tpt85 -144.98 109.06 4.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.59 -140.03 2.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.458 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.425 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 3.8 p90 -157.73 168.51 27.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.953 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.657 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.3 tp -78.94 116.77 19.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.867 HD12 HG12 ' A' ' 83' ' ' VAL . 28.6 mt -57.11 -53.1 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.411 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -56.56 -25.84 53.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -143.58 105.08 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -83.63 19.77 1.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.1 mmt -94.58 -11.77 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.618 ' N ' HD12 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -122.25 119.58 31.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -132.38 147.88 52.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.0 -144.02 8.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 33.9 pt -130.87 159.2 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.545 ' CG ' HD11 ' A' ' 78' ' ' LEU . 0.6 OUTLIER -153.72 160.15 31.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.62 0.724 . . . . 0.0 110.865 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.6 Cg_endo -69.66 130.67 19.88 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.71 2.273 . . . . 0.0 112.388 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.502 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 6.3 mtpm? -60.14 -38.03 81.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 91.1 p -55.75 -15.98 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 15.7 m-85 -96.54 -25.48 15.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.615 HD11 ' CD1' ' A' ' 78' ' ' LEU . 38.2 mm -92.08 128.79 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -99.26 100.63 11.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.431 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 38.6 mm -67.15 106.1 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.9 mttt -71.64 120.48 17.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -114.4 81.58 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 83.9 t -120.49 -58.22 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -91.98 -51.06 5.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.842 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -153.55 144.03 22.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.77 178.12 45.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -99.92 139.61 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.9 m -93.28 153.68 18.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.24 132.31 11.07 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 -85.05 161.02 19.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 10' ' ' LEU . 3.3 pp -41.25 -40.19 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 9' ' ' LEU . 1.5 tp -50.82 163.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -175.09 112.62 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.54 -43.52 14.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -71.57 105.41 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -103.29 39.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.488 HG22 HG13 ' A' ' 17' ' ' ILE . 11.0 mm -52.24 142.34 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -89.18 44.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 18' ' ' PRO . 74.2 mt -50.56 138.42 22.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.4 Cg_endo -69.81 -172.68 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.302 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -73.58 -42.36 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -137.15 151.2 71.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 111.06 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.517 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.7 Cg_endo -69.81 151.97 68.92 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.579 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 53.5 Cg_endo -69.74 161.62 45.24 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.652 2.235 . . . . 0.0 112.333 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 120.71 7.46 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.373 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.416 HG23 ' HD2' ' A' ' 25' ' ' PRO . 92.2 mt -56.34 132.4 76.08 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.639 0.733 . . . . 0.0 111.109 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.5 Cg_endo -69.73 177.65 5.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 mptm? -77.68 123.5 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' OE1' ' NE2' ' A' ' 75' ' ' GLN . 11.9 mt-10 -49.63 144.26 9.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.629 0.728 . . . . 0.0 110.934 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 102.88 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -82.94 48.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -174.99 108.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -95.16 139.07 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.84 -25.35 13.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.851 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' SER . 30.7 p90 -94.09 -32.78 13.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' PHE . 79.1 p 35.05 53.2 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.817 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.32 149.05 1.16 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 179.84 3.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.3 t -77.34 97.25 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.4 p -66.31 166.27 12.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -104.79 -56.97 0.7 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.445 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.8 pp -145.14 153.6 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.7 153.98 19.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.91 166.34 33.19 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -51.87 115.8 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.889 0.376 . . . . 0.0 110.887 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.04 76.79 0.49 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.7 t -104.53 95.32 5.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.371 . . . . 0.0 110.869 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -147.64 122.7 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.74 140.69 3.47 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 93.3 p -75.18 99.0 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.382 . . . . 0.0 110.844 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.7 t -96.49 114.98 26.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 45.55 82.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 39.1 m -79.94 153.76 28.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.84 0.352 . . . . 0.0 110.862 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.7 p -66.24 174.65 2.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.95 -47.28 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.477 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.6 m -38.61 -49.19 1.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.8 p -117.35 158.8 23.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.27 50.51 4.04 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.534 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.1 -47.42 3.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -77.74 80.97 4.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -87.37 148.6 24.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -87.51 138.97 31.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.526 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.6 t-80 -94.43 123.38 37.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -132.18 166.04 23.39 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.486 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 83' ' ' VAL . 15.7 t -140.0 127.57 24.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.854 0.359 . . . . 0.0 111.119 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.63 120.23 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.056 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 26.7 pt -97.14 -31.93 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.579 ' CE2' ' HD2' ' A' ' 22' ' ' PRO . 34.3 m-85 -114.83 139.64 49.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -68.85 109.88 4.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -97.88 147.9 23.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -136.71 126.67 25.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -125.85 -178.21 15.21 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.7 t -109.23 -37.68 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 173.31 160.48 21.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.13 152.01 0.23 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 111.108 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.68 -3.77 7.79 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.354 -0.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.445 ' NE2' ' OE1' ' A' ' 27' ' ' GLU . 66.4 mt-30 -71.61 133.61 45.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.439 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 10.6 tp -122.25 138.51 54.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -77.74 154.74 31.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.445 HD21 HG11 ' A' ' 84' ' ' VAL . 25.2 mt -149.2 153.41 37.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.932 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -129.88 137.22 50.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 74.2 mt -48.36 135.07 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.08 15.6 62.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -110.35 145.39 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.843 HG22 HG22 ' A' ' 63' ' ' VAL . 90.3 t -110.13 144.04 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 98' ' ' LEU . 32.2 m -132.5 144.73 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.16 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -83.87 98.56 9.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 76.2 mt -71.0 117.35 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -103.33 -42.52 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -135.24 159.03 42.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.1 m -137.34 127.93 26.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.104 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 91' ' ' GLY . 60.4 m -127.98 140.59 51.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.08 -110.7 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.476 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.48 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 6.3 m-20 -118.6 44.77 2.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.556 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 54.8 m95 -151.01 142.83 23.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.583 ' CZ ' HD11 ' A' ' 115' ' ' ILE . 15.9 m-85 -94.4 154.34 17.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.76 109.39 12.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.28 -144.95 4.51 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 102' ' ' LYS . 3.5 p90 -158.03 161.17 38.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.839 HD23 ' HB2' ' A' ' 101' ' ' HIS . 12.5 tp -70.73 114.94 9.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.971 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.662 HD12 HG12 ' A' ' 83' ' ' VAL . 54.3 mt -57.25 -55.06 22.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -30.09 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.839 ' HB2' HD23 ' A' ' 98' ' ' LEU . 70.1 m-70 -135.0 90.05 2.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 97' ' ' TYR . 19.8 mmtp -70.02 -0.64 7.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 26.1 mmm -80.94 4.34 19.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 101' ' ' HIS . 2.3 mp -136.38 116.14 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.45 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 26.9 mt-30 -130.43 149.95 51.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.81 -142.36 7.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.48 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.37 164.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.868 0.366 . . . . 0.0 111.119 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.463 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -159.07 160.82 28.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.911 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.556 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.82 124.37 10.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.315 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.572 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 51.1 mtpt -55.14 -35.51 64.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.9 p -59.26 -11.91 4.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.471 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.4 m-85 -101.11 -18.66 16.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.8 mm -100.41 131.02 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.1 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -100.49 107.04 18.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.818 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.583 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 51.8 mm -65.75 116.8 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -81.0 105.46 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -100.03 48.46 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 52.5 t -82.84 -50.03 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.144 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t -123.55 -61.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.807 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -146.8 122.68 10.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -81.47 -48.37 5.96 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 4' ' ' GLY . 29.0 t -35.21 -44.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.841 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 5' ' ' SER . 79.9 p -37.95 119.7 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.71 110.24 1.31 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.472 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -82.46 41.81 0.72 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.851 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.54 -60.58 3.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 tp -125.73 123.66 39.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.2 112.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 mt -87.28 42.81 1.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -130.52 98.07 4.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -66.57 -33.76 76.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.44 HD12 ' N ' ' A' ' 15' ' ' ILE . 4.7 mp -91.77 136.94 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -93.46 100.54 12.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 18' ' ' PRO . 56.9 mt -107.61 138.64 20.04 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.148 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.7 Cg_endo -69.74 137.31 35.21 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.721 2.28 . . . . 0.0 112.351 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -46.44 -41.94 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.914 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.47 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -117.43 156.74 48.78 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.541 0.686 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.47 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.75 137.58 35.81 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.707 2.271 . . . . 0.0 112.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 160.15 50.78 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.334 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 105.58 1.51 Allowed 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.73 2.286 . . . . 0.0 112.325 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 25' ' ' PRO . 56.1 mt -39.82 138.68 1.02 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.83 179.29 3.84 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.347 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 27' ' ' GLU . 0.4 OUTLIER -82.71 112.57 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 26' ' ' LYS . 7.8 mt-10 -36.91 139.47 0.48 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.897 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.468 ' HD3' ' NE1' ' A' ' 93' ' ' TRP . 53.6 Cg_endo -69.8 155.3 66.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.3 p -132.15 174.56 10.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 31' ' ' TYR . 80.2 m-20 44.61 40.18 3.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' C ' ' O ' ' A' ' 30' ' ' ASN . 65.3 m-85 -36.47 138.01 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -64.05 -55.79 19.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.627 ' CD1' ' NH2' ' A' ' 95' ' ' ARG . 4.3 p90 -68.51 160.55 29.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.1 m -113.4 81.75 1.56 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.93 179.59 5.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -48.86 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.654 2.236 . . . . 0.0 112.323 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -125.45 97.86 5.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.9 t -53.46 -43.34 68.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.808 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' ILE . . . -173.48 -141.89 3.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.626 ' N ' HD13 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -34.79 130.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.804 0.335 . . . . 0.0 111.128 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -142.94 131.67 22.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -164.25 -70.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.475 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -105.48 85.86 2.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.23 -179.61 18.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 44.6 m -76.05 -58.67 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.8 t -124.32 -62.03 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.05 102.17 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 t -131.07 149.99 52.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.3 p -124.32 160.16 28.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -142.18 87.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.4 m -87.11 42.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.4 m -135.39 144.8 46.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.817 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 105.06 84.91 1.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.7 p -116.84 151.41 36.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.5 p -167.57 169.11 12.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.16 175.27 41.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.518 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -172.9 117.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.938 0.399 . . . . 0.0 110.816 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp 60.7 40.85 15.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -52.42 155.99 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.5 mtm180 -93.38 160.03 14.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.859 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.4 t-160 -120.95 117.82 28.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.593 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -122.35 170.62 15.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.911 HG22 HG22 ' A' ' 83' ' ' VAL . 4.9 t -143.65 131.78 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.858 0.361 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.96 124.3 22.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 pt -106.35 -16.94 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.16 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -135.68 134.5 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -60.4 105.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -93.71 140.79 29.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -140.09 105.97 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.24 -148.5 24.14 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.523 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 42.7 t -126.2 -46.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 110.85 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 178.67 157.61 19.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.552 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.81 153.58 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -2.95 7.41 Favored 'Cis proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.372 -0.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 10.2 mt-30 -71.62 128.84 37.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 tp -116.93 139.23 50.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.9 p -78.17 163.07 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.688 HD21 HG11 ' A' ' 84' ' ' VAL . 16.5 mt -146.25 156.72 43.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -128.37 136.69 51.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 77.8 mt -51.41 132.31 12.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.26 11.75 68.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.505 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.61 133.44 53.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.911 HG22 HG22 ' A' ' 63' ' ' VAL . 62.1 t -98.73 146.07 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.688 HG11 HD21 ' A' ' 78' ' ' LEU . 27.6 m -134.42 143.22 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -82.99 103.03 12.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 46.7 mt -70.87 132.02 33.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -116.99 -33.78 4.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -148.99 163.2 38.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.436 HG23 ' CD1' ' A' ' 94' ' ' TYR . 11.0 m -140.68 122.52 15.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.109 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 27.4 t -115.48 130.7 56.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.99 -98.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.577 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 9.9 m-20 -123.17 51.5 1.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.577 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 71.7 m95 -156.74 132.88 9.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.477 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 13.6 m-85 -94.32 141.84 28.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.974 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 33' ' ' PHE . 4.7 ttt180 -112.81 138.09 50.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.2 -147.91 12.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 4.6 p90 -156.88 162.78 39.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.956 0.408 . . . . 0.0 110.881 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.595 HD12 HG12 ' A' ' 84' ' ' VAL . 10.2 tp -73.71 113.46 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.908 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 69.1 mt -53.65 -55.05 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.467 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 5.2 ptpt -52.38 -28.93 21.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -145.56 105.16 3.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 8.8 mtmm -84.33 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.423 ' SD ' ' N ' ' A' ' 103' ' ' MET . 3.0 mpp? -99.93 -7.33 25.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.478 ' N ' HD12 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -126.85 105.82 8.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -115.82 150.82 36.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 74' ' ' PRO . . . 165.75 -146.27 10.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 74' ' ' PRO . 37.5 pt -130.89 167.22 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.85 0.357 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -158.56 160.28 29.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.494 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.5 Cg_endo -69.78 128.74 16.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.684 2.256 . . . . 0.0 112.309 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.477 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 13.4 mtmt -59.42 -31.43 69.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.8 p -64.24 -8.69 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.494 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 11.8 m-85 -105.29 -18.32 14.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.665 HD11 ' CD1' ' A' ' 78' ' ' LEU . 40.5 mm -96.74 136.2 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -105.92 97.25 7.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 44.9 mm -69.05 104.42 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.488 ' NZ ' HG23 ' A' ' 63' ' ' VAL . 22.6 mtmt -84.03 94.15 8.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.61 72.59 10.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 7.1 m -74.85 -26.52 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.123 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -126.11 149.3 49.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.897 0.379 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.2 p 44.58 32.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.36 3.34 22.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -113.39 22.63 14.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.858 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -87.4 -56.27 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.842 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 51.75 -93.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 7' ' ' GLY . 30.1 ptt85 33.42 50.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 mt -101.49 -53.03 3.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.908 HD23 ' H ' ' A' ' 11' ' ' ASP . 0.9 OUTLIER -168.36 157.6 9.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.908 ' H ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -69.67 1.1 4.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -86.84 -49.05 7.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.38 83.98 2.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -115.8 -49.24 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mt -55.96 139.39 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.16 53.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.626 HG23 ' HD2' ' A' ' 18' ' ' PRO . 74.5 mt -102.83 138.01 19.46 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.61 0.719 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.626 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.1 Cg_endo -69.73 -165.07 0.14 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.744 2.296 . . . . 0.0 112.348 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.69 -26.02 19.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -132.45 153.69 81.29 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.57 0.7 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 145.61 57.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.366 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.529 ' HD2' ' CE2' ' A' ' 66' ' ' TYR . 53.9 Cg_endo -69.78 154.61 67.44 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.648 2.232 . . . . 0.0 112.334 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 112.78 3.17 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.701 2.267 . . . . 0.0 112.321 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 25' ' ' PRO . 62.1 mt -55.38 138.25 67.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.738 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.78 -177.98 2.14 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -80.37 142.91 33.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -67.2 141.11 95.96 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.674 0.749 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.462 ' HB2' ' CE2' ' A' ' 31' ' ' TYR . 53.6 Cg_endo -69.8 155.47 65.73 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.3 p -68.74 175.32 3.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -70.9 86.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 28' ' ' PRO . 57.6 m-85 -50.85 171.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -60.01 -26.75 66.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.576 ' CD2' ' O ' ' A' ' 33' ' ' PHE . 7.7 p90 -97.35 37.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.0 p -90.49 84.47 5.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.67 157.9 9.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -6.59 18.95 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.653 2.236 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 44.4 t -139.53 113.74 8.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.1 m -79.46 132.4 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.28 -56.19 0.92 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.0 pt -131.29 176.89 7.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.823 0.344 . . . . 0.0 111.133 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -86.09 144.86 27.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' ' 43' ' ' ARG . . . -77.99 -68.88 1.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 42' ' ' GLY . 6.9 tpp180 34.0 41.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.06 -117.21 0.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.4 p -70.28 140.49 52.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -68.9 -53.04 23.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.67 40.06 98.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.2 m -56.73 -50.97 70.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 110.826 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t 40.88 41.77 1.3 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 48.92 -177.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.7 m -138.8 145.74 40.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.854 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.3 p -145.26 158.14 43.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 120.49 80.79 0.63 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.2 m -88.38 -62.28 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.889 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 75.4 m 48.87 42.1 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.68 87.28 1.38 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -84.06 39.48 0.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.894 0.378 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -99.09 79.05 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.6 mp0 -75.23 147.2 40.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.499 ' HB3' HD12 ' A' ' 86' ' ' ILE . 7.3 ttm-85 -91.56 154.18 19.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.783 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -104.02 121.79 43.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.455 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -127.27 165.6 20.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.444 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.788 HG22 HG22 ' A' ' 83' ' ' VAL . 15.4 t -141.27 127.19 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.836 0.35 . . . . 0.0 111.096 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.56 127.87 34.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.2 pt -110.99 -15.48 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.576 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 29.8 m-85 -128.81 135.26 48.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.8 m-20 -67.33 99.91 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -91.44 144.6 25.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -135.26 116.77 14.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.65 -165.89 21.72 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.443 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 -40.77 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.379 . . . . 0.0 110.838 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 175.13 153.94 10.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.554 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.85 151.08 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.564 0.697 . . . . 0.0 111.106 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.554 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.2 Cg_endo -69.79 -4.46 8.35 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.372 0.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.403 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 20.7 mt-30 -68.91 139.14 55.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.846 HD11 HD12 ' A' ' 104' ' ' LEU . 5.2 tp -129.15 147.33 50.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.434 ' N ' ' HG ' ' A' ' 76' ' ' LEU . 99.0 p -85.61 158.01 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.514 HD21 HG11 ' A' ' 84' ' ' VAL . 20.0 mt -147.61 152.05 37.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -128.54 135.25 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.8 mt -47.56 128.44 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 92.88 18.17 41.42 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.479 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -111.97 144.09 41.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.788 HG22 HG22 ' A' ' 63' ' ' VAL . 83.9 t -111.17 134.5 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.666 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 33.0 m -123.98 143.0 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -81.13 105.69 12.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.499 HD12 ' HB3' ' A' ' 60' ' ' ARG . 61.9 mt -76.34 127.26 37.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -114.56 -39.79 3.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -140.87 155.38 46.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.4 HG23 ' CD1' ' A' ' 94' ' ' TYR . 19.0 m -127.75 105.41 8.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.433 ' O ' ' C ' ' A' ' 91' ' ' GLY . 23.8 m -107.51 129.76 54.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 35.48 -142.58 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.492 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 4.7 m-20 -81.15 42.06 0.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.783 0.325 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.492 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 52.0 m95 -151.71 143.14 23.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.531 ' CE2' ' HA ' ' A' ' 110' ' ' LYS . 15.6 m-85 -96.44 164.34 12.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 106' ' ' GLY . 9.9 tpt85 -127.42 118.56 24.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 177.27 -157.42 22.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.537 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -152.37 162.49 41.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.83 HD23 ' HB2' ' A' ' 101' ' ' HIS . 19.8 tp -69.97 112.74 6.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.642 HD12 HG12 ' A' ' 83' ' ' VAL . 65.9 mt -56.25 -54.82 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -56.3 -32.12 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.907 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.83 ' HB2' HD23 ' A' ' 98' ' ' LEU . 38.5 m-70 -135.0 82.73 1.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 mttm -67.31 -3.87 9.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.545 ' HG3' HD23 ' A' ' 104' ' ' LEU . 7.9 ptp -66.26 -16.64 64.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.846 HD12 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -124.97 129.06 49.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -135.37 153.19 51.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.447 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 167.24 -143.61 8.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.1 pt -131.01 168.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.666 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -160.61 161.43 24.88 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.732 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.4 ' HG2' ' CG ' ' A' ' 112' ' ' PHE . 53.6 Cg_endo -69.79 133.1 24.7 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.349 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HA ' ' CE2' ' A' ' 94' ' ' TYR . 28.8 mtpt -63.01 -25.77 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 56.6 p -68.41 -11.06 59.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.8 m-85 -104.4 -17.85 14.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.473 HD11 ' CD1' ' A' ' 78' ' ' LEU . 51.2 mm -99.78 123.25 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -98.17 101.03 12.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 14.4 mm -66.37 111.24 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -85.49 99.48 11.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -97.09 48.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 11.1 m -89.66 -3.86 10.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -94.54 42.04 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -112.06 116.44 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 155.79 -48.67 0.48 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 68.0 m -36.27 133.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.0 m -152.27 171.92 17.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.91 -138.93 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 1.1 ptm85 38.28 44.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.358 . . . . 0.0 110.859 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -152.36 122.15 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.64 HD13 ' N ' ' A' ' 11' ' ' ASP . 0.7 OUTLIER -48.67 135.48 14.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.64 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -175.19 112.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.3 mt -125.44 72.24 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -48.49 162.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -108.73 87.22 2.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.557 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.0 mp -75.74 136.72 24.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -82.19 96.05 7.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.562 HG23 ' HD2' ' A' ' 18' ' ' PRO . 50.1 mt -110.22 136.24 20.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.617 0.723 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.562 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.6 Cg_endo -69.77 145.16 56.24 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -57.33 -35.96 70.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.79 151.01 51.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.528 0.68 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 53.5 Cg_endo -69.78 112.41 3.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.31 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 21' ' ' PRO . 53.7 Cg_endo -69.78 165.93 29.32 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.667 2.245 . . . . 0.0 112.322 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -178.7 2.48 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.612 HG23 ' HD2' ' A' ' 25' ' ' PRO . 4.8 mp -109.42 137.9 20.4 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.598 0.713 . . . . 0.0 111.164 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.612 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.7 178.55 4.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.688 2.259 . . . . 0.0 112.389 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -67.13 114.6 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -64.59 142.45 98.47 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.694 0.759 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 53.8 Cg_endo -69.72 125.59 12.34 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -115.09 48.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -129.68 -5.34 4.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 28' ' ' PRO . 0.7 OUTLIER -94.31 148.47 22.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -112.97 -51.03 2.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.4 p90 -38.79 154.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t 65.64 54.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.98 162.21 46.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 94.95 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.724 2.283 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.4 p -114.75 153.94 29.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.9 t -57.28 157.74 6.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.6 173.34 55.14 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.528 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.727 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.4 pp -108.99 18.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.771 0.319 . . . . 0.0 111.081 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -80.76 42.52 0.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.91 -154.72 47.09 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.488 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? 54.7 40.97 32.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.838 0.351 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.39 -80.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.462 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 95.6 p -174.81 135.89 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.7 m -95.55 150.57 20.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.73 -122.94 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -173.28 119.54 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 m -64.05 143.9 57.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -101.88 164.74 17.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.6 t -108.63 82.64 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 110.844 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.4 t -51.55 158.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.822 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -110.28 -160.08 17.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 t -65.57 96.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.7 m -155.91 139.63 16.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -154.94 164.7 31.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -147.06 167.9 22.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.89 0.376 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -95.07 41.62 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -43.91 152.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -89.64 137.52 32.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.848 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -94.86 118.27 31.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.602 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -125.0 167.27 17.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.887 HG22 HG22 ' A' ' 83' ' ' VAL . 12.8 t -142.76 133.71 23.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.59 130.07 41.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.056 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.41 HG23 ' HB2' ' A' ' 114' ' ' HIS . 13.4 pt -109.64 -15.36 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -138.46 141.83 39.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.25 105.69 1.81 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -98.07 121.09 39.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.838 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -124.02 109.61 13.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.47 -153.3 26.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.478 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.7 m -118.27 -40.53 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.97 159.28 19.3 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.492 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.558 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -35.43 151.12 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.558 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.1 Cg_endo -69.77 -3.61 7.82 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.64 -1.817 . . . . 0.0 112.364 -0.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 33.4 mt-30 -69.25 123.12 20.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.4 tp -109.64 140.07 43.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.8 p -75.85 154.87 35.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.449 HD21 HG11 ' A' ' 84' ' ' VAL . 20.7 mt -146.27 154.68 41.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -129.98 134.49 47.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 60.6 mt -47.37 128.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.203 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 89.26 17.5 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -110.59 131.77 54.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.869 0.366 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.887 HG22 HG22 ' A' ' 63' ' ' VAL . 48.9 t -96.75 142.08 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 29.6 m -132.46 134.32 59.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.448 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 15.0 mmt180 -76.26 99.99 4.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.4 mt -70.8 120.01 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -104.69 -41.94 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' OE1' ' N ' ' A' ' 89' ' ' THR . 4.4 tm-20 -137.88 156.79 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.426 ' N ' ' OE1' ' A' ' 88' ' ' GLU . 40.1 m -132.13 110.03 10.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.5 p -100.75 121.3 41.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.4 -121.74 2.31 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.496 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 0.6 OUTLIER -96.06 37.98 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.496 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 35.1 m95 -146.98 150.2 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.567 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 25.2 m-85 -100.57 169.27 9.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.637 HH11 ' N ' ' A' ' 96' ' ' GLY . 0.0 OUTLIER -139.58 115.29 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.637 ' N ' HH11 ' A' ' 95' ' ' ARG . . . -172.6 -152.57 8.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.543 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 4.6 p90 -153.54 161.27 42.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.955 0.407 . . . . 0.0 110.913 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.409 ' HA ' HG12 ' A' ' 84' ' ' VAL . 10.3 tp -70.41 118.93 13.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.448 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 6.6 mt -64.23 -48.86 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.499 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 13.3 ptpt -58.49 -14.3 7.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.499 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 95.0 m-70 -161.05 106.17 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.543 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 5.6 mmmm -75.15 1.79 12.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 37.9 mtm -76.92 1.99 16.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.438 ' N ' HD12 ' A' ' 104' ' ' LEU . 1.1 mp -135.48 130.52 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.445 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 37.6 mt-30 -147.88 148.9 31.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.454 ' O ' ' NH1' ' A' ' 95' ' ' ARG . . . 165.91 -145.76 10.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.4 pt -131.28 158.44 43.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.575 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -151.58 160.26 32.02 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.661 0.744 . . . . 0.0 110.889 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.501 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.74 133.16 24.92 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.567 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 14.3 mtpp -63.2 -22.56 66.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.6 m -70.97 -10.0 58.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.501 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 16.4 m-85 -106.15 -13.6 15.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -100.02 134.86 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.155 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.41 ' HB2' HG23 ' A' ' 65' ' ' ILE . 78.3 t60 -105.89 96.29 6.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.427 HG22 ' HG3' ' A' ' 117' ' ' GLU . 32.4 mm -65.84 112.86 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.185 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.5 mtpt -79.86 81.8 6.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.427 ' HG3' HG22 ' A' ' 115' ' ' ILE . 18.6 mt-10 -89.05 84.72 6.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 29.6 m -77.43 -19.98 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.6 p -128.49 176.15 7.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.896 0.379 . . . . 0.0 110.829 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 t -118.55 -51.07 2.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.24 -46.42 1.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.462 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 56.25 49.3 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -72.44 176.89 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.88 89.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.24 153.53 8.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 mt -147.74 115.19 6.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.489 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 2.3 mm? -117.51 135.06 54.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.489 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.73 108.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.94 53.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' CD ' HD12 ' A' ' 17' ' ' ILE . 7.9 pt-20 -76.2 157.78 32.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -121.12 1.0 10.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.0 mp -74.02 145.98 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -67.4 88.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.665 HG23 ' HD2' ' A' ' 18' ' ' PRO . 78.7 mt -108.29 138.55 20.2 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.601 0.715 . . . . 0.0 111.164 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.2 Cg_endo -69.72 -179.28 2.79 Favored 'Trans proline' 0 N--CA 1.466 -0.134 0 C-N-CA 122.756 2.304 . . . . 0.0 112.337 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -65.79 -42.18 91.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -157.41 149.54 17.58 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 125.31 11.99 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.7 2.267 . . . . 0.0 112.375 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 169.59 18.62 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.648 2.232 . . . . 0.0 112.356 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.3 Cg_endo -69.79 117.58 5.17 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.549 HG23 ' HD2' ' A' ' 25' ' ' PRO . 97.7 mt -34.26 135.41 0.37 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.732 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.549 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.79 119.18 6.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.684 2.256 . . . . 0.0 112.312 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -35.1 110.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -34.62 145.98 0.16 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.687 0.756 . . . . 0.0 110.912 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HD3' ' NE1' ' A' ' 93' ' ' TRP . 53.9 Cg_endo -69.75 157.94 58.68 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.693 2.262 . . . . 0.0 112.345 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 30' ' ' ASN . 1.6 t -61.16 -174.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 29' ' ' SER . 7.4 p-10 -36.74 127.99 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.599 ' CE2' ' HG3' ' A' ' 74' ' ' PRO . 15.9 m-85 -70.23 136.64 50.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' TYR . 0.8 OUTLIER -36.7 -46.38 0.59 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.12 125.81 35.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.7 m -160.38 112.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.46 145.83 17.01 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 -33.29 17.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.74 2.293 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 17.9 m -90.94 -43.08 10.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 t -72.51 98.13 2.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.25 73.42 0.13 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 pt -121.55 178.26 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -77.51 162.71 26.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.95 169.91 39.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.529 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.3 mtp180 -96.84 87.87 4.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.832 0.348 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -73.18 153.86 48.72 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.2 m -147.75 175.93 10.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.2 m 60.24 43.59 13.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.46 162.35 27.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.5 t -86.21 134.59 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.2 m -115.2 112.86 23.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.19 125.67 0.59 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.9 m -114.65 101.86 9.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.2 m -127.73 142.63 51.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -112.75 84.89 0.38 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.1 t 51.23 43.17 29.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.843 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.5 p -90.15 88.37 7.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 161.93 89.55 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -89.52 -54.39 4.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp -122.27 102.13 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -85.99 158.47 19.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 ttm-85 -103.77 142.58 34.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.853 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.8 t-80 -93.23 119.36 32.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -124.02 165.15 16.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 83' ' ' VAL . 6.7 t -145.04 130.1 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 0.0 111.102 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -68.72 136.41 52.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.544 HG13 ' CD2' ' A' ' 66' ' ' TYR . 16.0 pt -114.11 -16.04 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' CD2' HG13 ' A' ' 65' ' ' ILE . 45.8 m-85 -135.48 136.46 41.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -64.84 105.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -95.96 141.7 29.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -138.13 113.6 9.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.17 -151.1 17.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.7 m -120.79 -43.48 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 172.18 162.59 24.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.5 150.94 0.15 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 111.145 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.599 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 53.4 Cg_endo -69.77 -3.33 7.65 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.348 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.416 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 56.3 mt-30 -71.23 130.95 42.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.5 tp -117.06 137.99 51.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 96.0 p -77.78 151.06 34.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.675 ' CD1' HD11 ' A' ' 113' ' ' ILE . 14.1 mt -140.13 155.73 46.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.488 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 38.6 mt-30 -129.79 146.94 51.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 98.5 mt -55.02 129.11 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 83.65 26.68 41.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.455 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.84 132.69 54.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.361 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.915 HG22 HG22 ' A' ' 63' ' ' VAL . 84.9 t -102.72 134.95 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.551 HG12 ' HA ' ' A' ' 98' ' ' LEU . 33.0 m -131.24 142.82 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.28 101.3 9.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.5 mt -68.95 115.72 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -100.36 -43.3 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -132.62 163.57 28.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.1 m -144.7 124.92 13.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.7 t -123.53 124.24 42.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.59 -118.17 1.67 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.581 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 4.6 t70 -103.68 42.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.581 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 45.1 m95 -152.0 138.62 18.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.47 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 34.2 m-85 -94.03 168.46 10.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.459 ' CZ ' HG23 ' A' ' 107' ' ' ILE . 13.6 tpp180 -142.52 116.08 9.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.38 -143.78 4.4 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.44 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.412 ' CZ ' ' HE3' ' A' ' 102' ' ' LYS . 3.6 p90 -157.88 164.43 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.944 0.402 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.551 ' HA ' HG12 ' A' ' 84' ' ' VAL . 8.1 tp -74.8 113.1 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.641 HD12 HG12 ' A' ' 83' ' ' VAL . 53.2 mt -51.89 -55.05 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.51 ' HE3' HD21 ' A' ' 98' ' ' LEU . 16.9 pttt -55.57 -31.64 62.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -134.98 102.29 5.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HE3' ' CZ ' ' A' ' 97' ' ' TYR . 11.8 mtpt -84.22 29.5 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 24.5 mtm -107.09 -6.36 17.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -126.87 109.77 12.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' A' ' 105' ' ' GLN . 12.8 mp0 -123.92 145.84 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.32 -144.37 7.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.459 HG23 ' CZ ' ' A' ' 95' ' ' ARG . 30.4 pt -131.4 161.98 40.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 1.0 OUTLIER -155.96 159.0 31.86 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.633 0.73 . . . . 0.0 110.888 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 132.61 23.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.313 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.47 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 30.2 mtpt -63.49 -24.49 67.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 64.7 p -68.34 -10.86 57.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.4 m-85 -106.42 -16.16 14.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.675 HD11 ' CD1' ' A' ' 78' ' ' LEU . 47.7 mm -100.39 137.0 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -113.71 108.07 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 27.8 mm -67.25 112.39 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -63.63 146.31 54.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -158.75 106.03 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.822 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 27.3 m -94.19 -19.23 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.096 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 50.5 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.172 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -133.1 42.94 3.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -132.03 109.23 9.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.874 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.47 119.64 1.69 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.544 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -62.79 105.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.838 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 m -159.99 141.41 12.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.21 42.94 0.95 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -133.4 126.63 31.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.1 mt -55.68 -60.1 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -55.32 156.02 4.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -175.24 112.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.877 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -124.23 74.74 1.33 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -112.58 41.68 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -67.44 -60.22 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 17' ' ' ILE . 77.4 mt -41.08 139.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 -98.31 42.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 18' ' ' PRO . 68.6 mt -114.56 138.26 23.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.642 0.734 . . . . 0.0 111.094 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.0 Cg_endo -69.75 167.11 25.36 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.702 2.268 . . . . 0.0 112.366 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -77.55 -36.71 51.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -118.75 147.66 42.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 54.3 Cg_endo -69.77 119.85 6.73 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.685 2.257 . . . . 0.0 112.38 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 21' ' ' PRO . 53.6 Cg_endo -69.72 168.26 22.02 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.677 2.251 . . . . 0.0 112.345 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 114.56 3.75 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 0.0 112.37 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 25' ' ' PRO . 62.0 mt -43.19 138.6 2.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.633 0.73 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.4 Cg_endo -69.8 179.34 3.78 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.303 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.97 108.06 19.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' HA ' ' CE2' ' A' ' 93' ' ' TRP . 1.2 pp20? -42.37 151.36 0.36 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.683 0.754 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 108.74 2.13 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 0.0 112.386 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 91.5 p -78.86 48.14 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.825 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -173.71 105.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.504 ' CZ ' ' HG3' ' A' ' 74' ' ' PRO . 9.3 m-85 -94.28 118.62 31.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -132.13 39.53 3.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -130.17 32.47 4.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.5 p -156.57 143.61 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -56.06 146.0 32.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 142.24 47.63 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.362 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 t -116.92 150.63 38.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 t -157.47 165.39 35.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.49 17.67 61.76 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.7 pt -127.2 175.24 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.789 0.328 . . . . 0.0 111.138 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -138.95 123.75 18.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 57.28 176.85 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -65.54 149.84 49.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.353 . . . . 0.0 110.89 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 157.77 71.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 m -155.3 171.63 19.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.844 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.6 t -158.97 136.92 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.03 -128.85 37.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.7 t 57.17 41.63 26.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.896 0.379 . . . . 0.0 110.868 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.2 p -174.51 154.03 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.47 -149.74 21.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.509 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 33.0 m -85.16 48.37 1.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.881 0.372 . . . . 0.0 110.875 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.8 t -39.88 -43.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 154.24 141.51 3.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.449 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.6 t -165.54 147.92 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.2 p -96.33 119.59 35.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.21 81.14 1.26 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -73.62 80.91 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -116.28 41.83 2.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.1 mp0 -72.82 165.2 25.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -106.2 149.07 27.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.828 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -103.4 117.86 35.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.58 167.6 15.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.736 HG22 HG22 ' A' ' 83' ' ' VAL . 16.6 t -143.08 127.01 14.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.866 0.365 . . . . 0.0 111.09 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.67 128.7 37.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.482 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.4 pt -105.69 -28.34 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.482 ' CD2' HG13 ' A' ' 65' ' ' ILE . 64.8 m-85 -121.4 138.41 54.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.481 HD22 HD11 ' A' ' 80' ' ' ILE . 4.0 p30 -63.7 116.13 5.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.583 ' CE2' ' HD3' ' A' ' 109' ' ' PRO . 40.8 t80 -104.9 141.92 35.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -129.0 120.93 26.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -115.22 -174.44 18.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.498 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.5 m -117.01 -39.89 3.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 172.17 156.88 12.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.537 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.73 151.91 0.11 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.532 0.682 . . . . 0.0 111.093 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.77 -5.24 8.79 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.312 -0.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -70.84 147.24 49.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.924 HD11 HD12 ' A' ' 104' ' ' LEU . 9.6 tp -134.68 144.58 47.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.8 p -81.38 160.85 23.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.843 HD21 HG11 ' A' ' 84' ' ' VAL . 18.1 mt -151.2 154.54 37.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.932 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -127.05 132.81 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.481 HD11 HD22 ' A' ' 67' ' ' ASN . 85.9 mt -44.66 124.99 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 91.84 24.89 24.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.507 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.539 ' OD1' HD22 ' A' ' 78' ' ' LEU . 1.5 p30 -109.78 140.61 43.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.864 0.364 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.828 HG11 ' NE2' ' A' ' 61' ' ' HIS . 80.6 t -105.49 113.98 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.843 HG11 HD21 ' A' ' 78' ' ' LEU . 28.3 m -113.73 130.93 66.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.463 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 6.1 mmt180 -72.18 110.48 6.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.87 123.58 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -110.25 -41.01 4.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -138.06 160.51 39.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.0 m -138.94 117.94 12.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 19.3 p -111.69 123.98 51.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 40.75 -110.26 0.18 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.513 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.495 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 3.5 t0 -109.59 41.82 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 38.5 m95 -148.53 135.82 20.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 110' ' ' LYS . 13.5 m-85 -94.02 154.91 17.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.59 133.59 55.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.05 -152.64 15.22 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.531 ' CZ ' ' HD3' ' A' ' 102' ' ' LYS . 5.5 p90 -158.18 159.32 36.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.92 0.39 . . . . 0.0 110.921 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.6 tp -66.9 115.48 6.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.668 HD12 HG12 ' A' ' 83' ' ' VAL . 29.4 mt -63.01 -55.25 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.546 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 3.8 ptmm? -49.15 -18.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.546 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 97.8 m-70 -162.36 106.36 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 mtmm -82.99 31.61 0.43 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.495 ' SD ' ' N ' ' A' ' 103' ' ' MET . 0.2 OUTLIER -91.42 -10.61 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.899 179.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.924 HD12 HD11 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -138.04 132.95 32.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -136.43 160.69 38.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 161.83 -147.96 14.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.542 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 37.0 pt -126.06 168.79 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.361 . . . . 0.0 111.161 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.46 161.49 25.1 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.634 0.731 . . . . 0.0 110.873 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.583 ' HD3' ' CE2' ' A' ' 68' ' ' PHE . 54.0 Cg_endo -69.73 135.08 29.61 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.318 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.467 ' HA ' ' CD2' ' A' ' 94' ' ' TYR . 2.7 mtmp? -63.61 -36.62 84.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -59.36 -10.74 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.49 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 5.0 m-85 -101.93 -22.25 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 41.9 mm -94.98 132.01 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.431 ' HB2' HG23 ' A' ' 65' ' ' ILE . 75.3 t60 -104.17 101.79 11.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.436 HG22 ' HG3' ' A' ' 117' ' ' GLU . 45.2 mm -68.82 106.64 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.088 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -91.52 92.51 8.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.436 ' HG3' HG22 ' A' ' 115' ' ' ILE . 22.4 mt-10 -88.6 86.69 7.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 15.7 m -90.26 -2.3 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -97.16 120.29 37.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -138.58 174.95 9.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.56 -93.78 2.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -125.65 -54.71 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.902 0.382 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m 52.11 40.76 29.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.12 127.19 8.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -100.97 118.21 36.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.892 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -92.32 92.42 8.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -104.66 168.05 9.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.29 112.54 0.13 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 mp -95.31 39.33 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -45.39 162.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.8 m-20 59.22 38.43 23.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 15' ' ' ILE . 4.6 mp -46.85 146.31 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.111 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -76.48 57.36 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.669 HG23 ' HD2' ' A' ' 18' ' ' PRO . 86.3 mt -82.24 138.46 45.38 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.2 Cg_endo -69.75 169.04 19.81 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.349 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -58.63 -44.23 89.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -145.83 155.34 52.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.567 0.698 . . . . 0.0 111.121 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.402 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.4 Cg_endo -69.79 130.66 19.69 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.308 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.05 17.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.348 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.78 120.31 7.11 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.691 2.261 . . . . 0.0 112.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.441 HG23 ' HD2' ' A' ' 25' ' ' PRO . 89.2 mt -37.44 133.19 0.78 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.59 0.71 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.467 ' O ' ' C ' ' A' ' 26' ' ' LYS . 53.6 Cg_endo -69.77 119.11 6.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.634 2.223 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 25' ' ' PRO . 2.6 tttp -32.79 135.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -94.27 141.2 23.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.635 0.731 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 125.76 12.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.3 p -87.81 167.45 13.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 31' ' ' TYR . 5.3 m-20 44.84 46.67 8.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 30' ' ' ASN . 75.4 m-85 -35.8 126.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -118.37 -51.4 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' CG ' ' N ' ' A' ' 34' ' ' SER . 4.1 p90 -39.94 -39.58 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.407 ' N ' ' CG ' ' A' ' 33' ' ' PHE . 22.8 t -133.14 106.24 7.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.93 175.11 23.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 37' ' ' SER . 53.7 Cg_endo -69.75 -1.09 7.87 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.261 . . . . 0.0 112.376 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 36' ' ' PRO . 94.8 p -34.44 120.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.6 t -97.16 149.88 21.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -68.67 -59.59 5.98 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.9 pt -145.73 176.49 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -108.09 112.36 24.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.822 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 148.83 -80.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 44' ' ' GLY . 2.0 mpt_? -97.74 -55.84 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.883 0.373 . . . . 0.0 110.873 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 43' ' ' ARG . . . 34.63 47.73 0.65 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.504 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.0 m -86.89 41.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 0.0 110.873 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.0 t -110.49 126.15 54.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 48' ' ' SER . . . -177.1 -93.5 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.546 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 47' ' ' GLY . 37.5 m 34.83 42.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.85 -179.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p -71.89 143.11 49.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.57 -48.93 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.2 p -137.61 170.07 16.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.851 0.358 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -121.18 87.84 2.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 41.43 -119.95 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 76.3 p -114.4 133.74 55.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.887 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -129.83 178.31 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 172.01 -139.0 5.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.507 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -117.04 49.46 1.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -102.31 37.89 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG2' ' NH2' ' A' ' 85' ' ' ARG . 54.1 mp0 -67.66 172.73 4.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.3 ttm180 -132.48 137.48 47.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.62 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.1 t-80 -101.11 117.79 35.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -118.83 169.59 13.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.524 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.572 HG23 ' HD2' ' A' ' 116' ' ' LYS . 6.4 t -144.08 130.0 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.488 ' CB ' ' OD2' ' A' ' 82' ' ' ASP . . . -68.44 135.99 52.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.139 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.535 HG13 ' CD2' ' A' ' 66' ' ' TYR . 3.7 pt -118.19 -29.3 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.581 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 57.3 m-85 -117.63 135.06 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -65.45 100.42 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.49 ' CE1' ' O ' ' A' ' 69' ' ' GLN . 49.2 t80 -91.09 157.62 17.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' CD ' ' C ' ' A' ' 69' ' ' GLN . 3.6 pp0? -129.18 141.47 51.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -130.84 164.65 23.13 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 t -114.49 -31.71 6.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.93 0.395 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 166.91 148.56 5.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.55 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -39.26 152.3 0.2 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.578 0.704 . . . . 0.0 111.051 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.71 -3.59 7.72 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.335 -0.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.411 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 32.1 mt-30 -72.66 128.13 34.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.672 HD11 HD12 ' A' ' 104' ' ' LEU . 4.0 tp -121.01 141.68 50.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 82.8 p -79.1 163.77 24.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG11 ' A' ' 84' ' ' VAL . 18.6 mt -148.33 155.35 41.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -129.04 132.77 47.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.0 mt -46.22 126.47 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.115 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 87.87 27.32 26.78 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.488 ' OD2' ' CB ' ' A' ' 64' ' ' ALA . 1.5 p30 -110.0 141.32 42.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 110.848 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG12 HD12 ' A' ' 99' ' ' ILE . 72.7 t -107.27 110.02 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.743 HG11 HD21 ' A' ' 78' ' ' LEU . 25.5 m -106.41 143.51 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.485 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 3.1 mmm180 -83.49 115.55 22.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.6 mt -85.35 116.71 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -104.1 -35.36 8.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -143.16 170.77 15.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 96.9 m -146.02 124.64 12.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' GLY . 11.6 t -120.36 130.65 54.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 34.86 -121.66 0.46 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.401 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 63.2 m-20 -97.53 42.61 1.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 0.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.542 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 67.6 m95 -151.44 144.5 24.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.521 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 16.4 m-85 -95.98 174.38 6.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -135.99 121.77 19.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 174.42 -157.09 24.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.526 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 2.5 p90 -155.22 176.52 12.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.925 0.393 . . . . 0.0 110.927 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.462 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 11.7 tp -77.35 112.73 14.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.935 HD12 HG12 ' A' ' 83' ' ' VAL . 51.0 mt -59.38 -51.67 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 15.4 ptmt -54.56 -18.75 4.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 100' ' ' LYS . 79.8 m-70 -156.65 105.53 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.526 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 26.2 mtmt -84.26 30.06 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.444 ' SD ' ' N ' ' A' ' 103' ' ' MET . 0.9 OUTLIER -92.69 -10.73 36.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.672 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -137.34 128.73 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -134.65 156.91 47.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.18 -142.07 7.32 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.6 pt -134.13 161.02 41.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.655 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -152.94 161.05 30.11 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.665 0.745 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.542 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 53.8 Cg_endo -69.76 131.76 21.92 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.739 2.292 . . . . 0.0 112.294 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 15.3 mtpp -62.71 -25.11 68.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 96.0 p -67.85 -11.29 58.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 8.3 m-85 -104.17 -17.06 15.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.429 HD11 ' CD1' ' A' ' 78' ' ' LEU . 43.3 mm -100.56 128.48 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -101.4 100.89 11.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 36.3 mm -65.48 113.25 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.572 ' HD2' HG23 ' A' ' 63' ' ' VAL . 25.3 mtpt -82.87 135.78 34.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -122.61 74.69 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.0 m -69.27 -18.94 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.147 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 t -66.1 157.5 30.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.926 0.393 . . . . 0.0 110.839 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.8 m -146.12 172.5 13.33 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.08 106.8 3.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -92.77 109.39 20.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.817 0.341 . . . . 0.0 110.904 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m -126.49 42.71 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.4 -175.49 54.46 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 61.17 43.37 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.82 0.343 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mp -103.7 40.2 1.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.491 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 6.1 tp -89.25 113.04 24.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.71 109.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -103.11 64.59 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -130.39 37.64 3.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -111.39 -46.42 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 17' ' ' ILE . 5.3 mp -89.97 138.93 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -122.12 46.19 2.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.662 HG23 ' HD2' ' A' ' 18' ' ' PRO . 85.7 mt -102.51 138.26 19.61 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.576 0.703 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.662 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.0 Cg_endo -69.71 158.53 56.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.39 -35.04 76.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.65 150.01 63.89 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.587 0.708 . . . . 0.0 111.056 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.57 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.2 Cg_endo -69.82 129.49 17.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.67 2.247 . . . . 0.0 112.321 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 165.25 31.57 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.687 2.258 . . . . 0.0 112.353 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 114.14 3.6 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.264 . . . . 0.0 112.364 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 74.1 mt -43.02 129.81 3.25 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.58 0.705 . . . . 0.0 111.154 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.465 ' O ' ' C ' ' A' ' 26' ' ' LYS . 53.6 Cg_endo -69.79 119.85 6.73 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.635 2.224 . . . . 0.0 112.355 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 25' ' ' PRO . 0.1 OUTLIER -32.8 100.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.489 ' OE2' ' NE2' ' A' ' 75' ' ' GLN . 2.3 pt-20 -44.4 143.36 2.03 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.66 0.743 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 155.51 65.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.0 t -59.84 145.77 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.7 m-80 -41.22 99.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -53.26 169.18 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -90.21 81.46 6.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -97.67 -65.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.2 m -77.15 47.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.817 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.94 -173.01 40.97 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.46 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 166.56 27.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.637 2.225 . . . . 0.0 112.375 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.8 m -122.44 91.77 3.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.7 t -161.3 133.56 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.94 102.15 2.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.486 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.4 pt -72.94 109.84 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.089 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -164.92 149.43 9.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.43 132.17 0.33 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.0 mtm180 -73.79 122.04 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.11 -142.74 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 77.0 p -108.49 136.39 48.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.3 t -70.78 -51.64 25.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -170.04 -141.92 3.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.5 m -100.36 174.82 5.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -151.38 135.05 16.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.819 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -66.98 157.24 51.42 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.0 m -153.44 130.76 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 0.0 110.825 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.6 p -104.68 109.99 22.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.42 -159.43 9.06 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.486 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.0 p -109.02 112.79 25.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.922 0.392 . . . . 0.0 110.849 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.2 p -63.81 126.48 27.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.69 161.69 0.86 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -113.39 -60.62 1.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -107.34 84.45 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.1 156.49 31.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 -95.89 151.41 19.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.622 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -103.32 121.48 42.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.445 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -128.06 166.2 20.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 83' ' ' VAL . 14.5 t -142.29 132.87 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 111.109 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.1 128.19 35.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.6 pt -106.83 -13.37 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 52.1 m-85 -136.32 142.31 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.483 ' ND2' ' H ' ' A' ' 80' ' ' ILE . 24.7 m120 -70.48 101.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.912 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -89.45 154.2 20.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -134.82 126.15 28.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -122.14 172.63 15.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.54 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -105.39 -37.3 6.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.823 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 168.17 157.48 11.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.8 150.19 0.14 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.551 0.691 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.78 -4.33 8.26 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.637 -1.818 . . . . 0.0 112.359 0.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.489 ' NE2' ' OE2' ' A' ' 27' ' ' GLU . 47.9 mt-30 -68.96 143.16 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.67 HD11 HD12 ' A' ' 104' ' ' LEU . 12.5 tp -132.69 139.98 47.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 p -78.25 164.17 25.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.805 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.755 HD21 HG11 ' A' ' 84' ' ' VAL . 35.9 mt -153.66 153.12 31.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.921 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -129.86 134.71 47.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.483 ' H ' ' ND2' ' A' ' 67' ' ' ASN . 61.2 mt -44.97 134.09 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.02 20.06 63.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.481 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -111.23 142.68 43.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.883 0.373 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.846 HG22 HG22 ' A' ' 63' ' ' VAL . 95.9 t -107.03 140.48 25.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.755 HG11 HD21 ' A' ' 78' ' ' LEU . 33.8 m -130.52 131.28 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -71.59 101.68 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.53 113.49 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -98.14 -42.5 7.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -137.03 173.52 11.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 21.3 m -146.12 115.67 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 73.7 m -114.3 129.48 56.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.78 -127.92 5.02 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.486 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -95.44 30.81 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.553 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.7 m95 -139.55 146.01 39.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 26.8 m-85 -93.91 176.95 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -138.81 121.84 16.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 176.34 -158.01 24.1 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.577 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.8 p90 -151.19 164.17 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.905 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.439 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 12.2 tp -69.76 114.67 8.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 8.8 mt -60.23 -54.68 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 14.9 ptmt -51.95 -16.73 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.477 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 91.9 m-70 -159.58 105.35 1.64 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.577 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 8.8 mtpm? -84.2 30.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 47.6 mmm -95.01 -10.75 29.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.67 HD12 HD11 ' A' ' 76' ' ' LEU . 0.5 OUTLIER -133.94 113.73 12.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -121.97 143.3 49.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.02 -143.12 6.37 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.3 pt -131.26 167.43 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.367 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.598 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.6 OUTLIER -159.42 161.38 27.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.655 0.741 . . . . 0.0 110.873 179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.553 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.3 Cg_endo -69.72 134.82 28.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.507 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 3.1 mtpm? -66.49 -24.89 66.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.8 p -67.62 -11.3 57.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 7.2 m-85 -104.2 -21.29 13.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.9 mm -93.63 133.28 35.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -104.62 102.77 12.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 38.3 mm -66.22 103.68 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -91.72 87.42 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -97.88 50.85 1.04 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 90.6 t -75.05 -60.58 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -163.01 154.16 17.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.857 0.361 . . . . 0.0 110.854 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -120.08 -39.64 2.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 162.61 177.9 36.01 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.473 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 6' ' ' SER . 11.1 m -96.39 82.77 3.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.908 0.385 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 5' ' ' SER . 28.5 m -35.32 -50.47 0.55 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.72 169.68 33.26 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -40.8 150.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 110.89 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 tp -144.06 121.71 11.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.687 HD23 ' N ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -111.39 178.39 4.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.499 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.76 108.97 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.7 mt -77.72 -51.68 10.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 67.16 45.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -104.32 -32.64 8.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.866 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.497 HG22 ' N ' ' A' ' 16' ' ' GLN . 2.1 mp -115.72 165.64 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.497 ' N ' HG22 ' A' ' 15' ' ' ILE . 33.6 mt-30 -81.87 43.4 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.635 HG23 ' HD2' ' A' ' 18' ' ' PRO . 82.5 mt -107.71 138.25 19.96 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.5 Cg_endo -69.78 168.58 21.18 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.335 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -70.34 -37.73 74.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.98 148.42 54.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.623 0.725 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 143.39 50.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 0.0 112.32 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.07 17.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 24' ' ' ILE . 54.5 Cg_endo -69.76 108.25 2.04 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.364 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 25' ' ' PRO . 68.6 mt -34.68 138.7 0.33 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.624 0.726 . . . . 0.0 111.107 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.78 119.34 6.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 25' ' ' PRO . 0.0 OUTLIER -35.1 138.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.88 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -44.78 142.49 2.55 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 150.22 67.64 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.68 2.254 . . . . 0.0 112.311 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.0 t -62.42 -177.42 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 31' ' ' TYR . 38.0 p-10 -38.96 99.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.409 ' C ' ' O ' ' A' ' 30' ' ' ASN . 24.2 m-85 -37.75 139.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -55.02 -48.5 73.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -83.03 87.48 6.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 t -90.92 -59.58 2.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.39 156.36 8.82 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -46.1 1.37 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.737 2.291 . . . . 0.0 112.354 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.6 t -173.24 108.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.0 m -130.14 164.89 23.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.835 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -145.37 100.98 0.23 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.3 pt -80.61 -8.5 11.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.123 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 56.24 44.17 25.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.31 -127.73 38.03 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -89.3 144.74 25.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 172.74 -107.82 0.26 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 t -147.89 157.22 43.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 88.6 p -109.15 155.08 21.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.19 -123.7 1.47 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.4 p 39.87 45.95 1.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.895 0.378 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 14.1 m -60.15 151.92 25.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -166.92 -43.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.544 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -58.26 118.63 5.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.7 p -80.03 174.06 11.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.59 -117.1 2.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t 64.03 41.38 6.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 68.2 p -84.03 -54.49 4.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 173.25 154.21 10.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.436 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.58 43.48 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -115.01 77.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -110.46 156.61 20.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -118.88 144.36 46.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.855 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -92.14 127.58 37.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.842 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -135.05 170.85 22.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 83' ' ' VAL . 14.5 t -144.29 129.85 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 111.12 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.49 127.35 32.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.1 pt -107.34 -32.62 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.458 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 25.9 m-85 -114.97 127.59 55.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -58.53 115.19 2.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -105.95 135.12 47.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -118.32 118.5 31.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -110.39 173.99 16.93 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -109.3 -43.49 4.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.94 152.43 10.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.434 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.551 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.03 151.91 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.552 0.691 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.7 Cg_endo -69.76 -5.74 9.04 Favored 'Cis proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.358 0.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -69.39 137.37 52.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 104' ' ' LEU . 4.5 tp -127.38 142.38 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.2 m -80.34 160.88 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.641 HD21 HG11 ' A' ' 84' ' ' VAL . 21.0 mt -148.93 155.56 41.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -129.57 134.73 47.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.6 mt -48.43 133.84 5.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.42 15.67 65.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -111.75 130.28 55.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG22 HG22 ' A' ' 63' ' ' VAL . 58.8 t -95.31 139.73 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.085 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.641 HG11 HD21 ' A' ' 78' ' ' LEU . 28.0 m -127.35 139.13 52.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -77.19 109.79 11.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 52.9 mt -80.27 128.23 38.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -115.98 -35.44 4.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 89' ' ' THR . 31.0 tp10 -146.24 150.94 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.449 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 52.6 m -133.76 122.37 23.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.17 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.83 137.34 53.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 42.3 -118.36 1.64 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.435 ' C ' ' HG3' ' A' ' 110' ' ' LYS . 0.8 OUTLIER -111.01 40.07 2.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.754 0.311 . . . . 0.0 110.83 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 63.7 m95 -145.22 137.58 25.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.512 ' CE2' ' HB3' ' A' ' 110' ' ' LYS . 10.6 m-85 -94.87 157.31 15.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 88' ' ' GLU . 26.0 tpt85 -120.74 134.44 55.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 164.09 -148.72 15.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 102' ' ' LYS . 4.6 p90 -155.7 177.66 11.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.855 0.36 . . . . 0.0 110.951 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.597 HD23 ' HB2' ' A' ' 101' ' ' HIS . 10.1 tp -84.79 112.94 20.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.923 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.623 ' CD1' HG12 ' A' ' 83' ' ' VAL . 29.9 mt -55.36 -43.73 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 9.1 ptpt -68.77 -34.51 75.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.597 ' HB2' HD23 ' A' ' 98' ' ' LEU . 98.4 m-70 -135.02 73.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -46.55 -34.84 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.605 ' C ' HD23 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -43.29 -23.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.863 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 104' ' ' LEU . 1.3 mt -103.55 116.12 31.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -136.91 135.18 37.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 179.7 -143.49 5.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.415 HG22 ' HD2' ' A' ' 95' ' ' ARG . 22.7 pt -128.57 156.73 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 111.166 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.446 ' CD1' HG13 ' A' ' 113' ' ' ILE . 0.9 OUTLIER -152.34 160.21 31.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.888 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.519 ' HG2' ' CG ' ' A' ' 112' ' ' PHE . 53.3 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.71 2.274 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.512 ' HB3' ' CE2' ' A' ' 94' ' ' TYR . 9.2 mtmt -59.96 -36.25 76.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 t -59.9 -10.59 4.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.519 ' CG ' ' HG2' ' A' ' 109' ' ' PRO . 4.0 m-85 -102.26 -24.74 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.446 HG13 ' CD1' ' A' ' 108' ' ' PHE . 48.4 mm -94.49 130.92 42.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -105.27 110.24 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' A' ' 117' ' ' GLU . 41.8 mm -65.63 119.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.23 44.56 0.59 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.504 ' HB2' HG22 ' A' ' 115' ' ' ILE . 17.5 tp10 -77.01 61.27 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 26.7 m -87.84 -8.13 10.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -140.01 150.14 44.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.879 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -78.55 175.07 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.66 80.38 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -174.58 153.99 1.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.351 . . . . 0.0 110.843 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 m -129.42 89.41 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.57 152.08 0.82 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 61.9 mtp180 -106.72 34.25 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -112.61 45.26 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mp -85.03 172.57 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' LEU . 29.5 t70 -82.67 -75.67 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 12' ' ' LEU . 1.9 tt 36.28 52.44 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -100.51 42.97 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -119.8 -61.65 1.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.437 HG22 ' H ' ' A' ' 17' ' ' ILE . 11.0 mt -75.15 146.08 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.4 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.7 pm0 -126.36 53.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.677 HG23 ' HD2' ' A' ' 18' ' ' PRO . 81.7 mt -106.25 138.66 19.76 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.616 0.722 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.677 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.9 Cg_endo -69.73 -175.48 1.16 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.362 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -78.21 -44.02 26.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.804 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -130.79 167.81 19.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.53 0.681 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.804 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 54.0 Cg_endo -69.79 127.08 14.06 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.675 2.25 . . . . 0.0 112.347 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 168.22 22.16 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.341 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.23 18.94 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.675 HG23 ' HD2' ' A' ' 25' ' ' PRO . 48.8 mt -65.35 138.57 97.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.6 0.714 . . . . 0.0 111.17 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.9 Cg_endo -69.74 177.19 5.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 27' ' ' GLU . 0.5 OUTLIER -84.97 134.04 34.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 26' ' ' LYS . 49.3 mt-10 -34.77 150.35 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 148.4 65.17 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.1 p -55.61 -175.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -41.78 136.94 1.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -81.79 140.83 33.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -73.55 -60.03 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -53.53 115.82 2.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.2 t -120.86 121.44 38.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.59 147.28 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -28.03 25.75 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.62 2.213 . . . . 0.0 112.342 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 38' ' ' SER . 39.1 m -149.55 152.06 34.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 37' ' ' SER . 2.5 m -37.32 -43.57 0.55 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -96.38 133.4 11.41 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.412 ' C ' HD12 ' A' ' 40' ' ' ILE . 2.7 pp -135.44 147.15 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -103.89 -43.79 5.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -167.36 -137.56 2.26 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 37.8 mtm-85 -62.89 -55.57 24.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.77 132.08 2.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.2 p -91.65 55.61 2.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.904 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.0 t 43.09 42.94 3.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -42.16 123.06 3.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.0 t -88.06 -52.95 4.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.871 0.367 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -98.42 162.6 13.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 136.78 47.54 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.0 p -164.57 114.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.861 0.362 . . . . 0.0 110.839 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 8.6 t -159.77 141.29 12.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.01 -42.77 1.31 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.452 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 t -74.95 109.42 8.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.36 . . . . 0.0 110.891 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -160.0 121.61 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.11 67.03 2.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.534 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -132.15 132.19 42.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -62.65 95.55 0.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -104.68 -179.67 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.607 ' HG2' HD12 ' A' ' 115' ' ' ILE . 1.6 tpm_? -93.87 138.42 32.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.733 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.7 t-80 -101.31 117.97 36.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.645 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -123.19 165.99 15.71 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 83' ' ' VAL . 5.8 t -144.07 134.82 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.354 . . . . 0.0 111.124 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.07 132.47 46.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.099 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.442 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 22.1 pt -111.11 -14.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.578 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 24.3 m-85 -140.17 139.97 35.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -66.69 103.44 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -90.3 140.56 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -129.69 110.03 11.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.88 -156.86 26.38 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.2 m -127.64 -46.15 1.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.833 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.65 158.52 22.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.16 155.08 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.542 0.687 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.9 Cg_endo -69.76 -2.58 7.21 Favored 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.659 -1.809 . . . . 0.0 112.367 0.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.46 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 7.9 mt-30 -68.77 145.36 53.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -131.21 144.18 51.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 60.6 p -82.22 159.27 23.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.447 HD21 HG11 ' A' ' 84' ' ' VAL . 24.1 mt -145.18 154.64 42.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -129.55 132.5 46.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 86.5 mt -45.63 131.58 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 86.15 17.32 61.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.523 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -111.88 133.45 54.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.833 0.349 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.039 HG22 HG22 ' A' ' 63' ' ' VAL . 84.1 t -99.34 135.01 36.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.107 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.447 HG11 HD21 ' A' ' 78' ' ' LEU . 21.1 m -123.63 139.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.474 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 18.7 mmm-85 -80.52 102.19 9.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 69.2 mt -68.93 116.02 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -101.25 -35.44 9.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -148.59 174.02 12.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 31.2 m -142.58 116.81 9.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.8 p -109.24 108.01 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.4 -126.45 11.82 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.594 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 65.7 m-20 -89.18 42.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 65.8 m95 -156.29 136.16 12.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 22.0 m-85 -93.49 163.4 13.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.889 ' HG2' HG22 ' A' ' 107' ' ' ILE . 1.4 mtp-105 -124.34 161.25 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 139.98 -150.65 21.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.435 ' CB ' ' HG2' ' A' ' 105' ' ' GLN . 3.0 p90 -157.09 173.76 16.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.872 0.367 . . . . 0.0 110.913 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.468 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 9.8 tp -78.26 115.36 17.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.601 HD12 HG12 ' A' ' 83' ' ' VAL . 53.8 mt -58.75 -44.0 89.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.468 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -66.9 -13.21 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.809 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -157.54 105.42 2.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.852 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.1 mttp -82.95 7.89 14.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 104' ' ' LEU . 0.1 OUTLIER -132.07 130.61 41.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.894 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.435 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 29.5 mt-30 -143.35 151.91 41.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 168.24 -144.63 8.99 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.889 HG22 ' HG2' ' A' ' 95' ' ' ARG . 33.5 pt -124.85 154.44 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' A' ' 84' ' ' VAL . 0.6 OUTLIER -144.93 160.22 47.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 110.915 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 54.0 Cg_endo -69.78 141.98 46.62 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.54 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 19.4 mtpp -73.19 -20.62 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 73.2 m -75.41 -5.88 47.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.578 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 4.3 m-85 -111.25 -11.91 14.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.4 mm -100.45 133.88 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.181 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -113.5 102.23 10.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.607 HD12 ' HG2' ' A' ' 60' ' ' ARG . 21.9 mm -64.7 103.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -54.76 128.22 31.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -122.48 88.08 2.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.415 HG22 ' H ' ' A' ' 118' ' ' VAL . 3.3 m -87.65 -25.88 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 84.9 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -119.25 177.86 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -125.63 155.57 40.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.04 -46.24 1.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.522 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -83.25 -50.35 8.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 p -40.48 154.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.61 112.23 2.23 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.518 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.562 ' C ' HD12 ' A' ' 9' ' ' LEU . 2.4 ptm85 -93.28 163.1 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.562 HD12 ' C ' ' A' ' 8' ' ' ARG . 5.1 mp -144.29 121.36 11.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -85.88 36.22 0.66 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -175.38 112.93 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -82.45 38.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -101.05 46.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -119.22 -56.32 2.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.527 HG21 HD12 ' A' ' 17' ' ' ILE . 47.0 mm -88.82 138.99 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -94.32 36.91 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.671 HG23 ' HD2' ' A' ' 18' ' ' PRO . 88.1 mt -105.05 138.6 19.56 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.657 0.742 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.671 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.5 Cg_endo -69.77 177.89 5.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.333 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -87.86 -42.65 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.553 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -111.46 160.01 30.93 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.8 Cg_endo -69.81 110.4 2.56 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.254 . . . . 0.0 112.325 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 161.02 47.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 113.66 3.45 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.68 HG23 ' HD2' ' A' ' 25' ' ' PRO . 59.6 mt -41.47 138.55 1.58 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.609 0.719 . . . . 0.0 111.115 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.68 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.72 177.18 5.81 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.691 2.26 . . . . 0.0 112.335 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.6 ttmt -62.2 145.04 54.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -85.12 144.31 41.05 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 94.11 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.633 2.222 . . . . 0.0 112.348 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 m -79.42 48.1 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -175.1 104.97 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.453 ' CZ ' ' HG3' ' A' ' 74' ' ' PRO . 22.2 m-85 -94.01 157.88 15.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.14 -34.68 6.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 34' ' ' SER . 9.5 m-85 -38.65 -52.91 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' PHE . 89.5 p 34.73 52.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.97 -159.92 19.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -2.29 9.98 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.3 m -40.62 -42.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.825 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.8 m -47.85 150.99 0.97 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.69 -71.29 0.96 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 pt -129.67 -178.74 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.15 173.02 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -156.78 -97.53 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.4 mtt180 -84.88 40.35 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.851 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -168.1 150.54 16.61 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.3 t -111.96 139.83 47.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.858 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.1 m -157.97 156.74 31.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -167.53 94.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -122.48 171.22 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.864 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.7 m -132.04 170.47 14.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -130.6 76.43 0.41 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.2 m -76.46 125.89 30.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 t -155.54 106.71 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.07 92.71 0.13 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.6 m -166.94 177.97 6.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.3 m -143.71 143.86 31.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 108.86 73.08 0.77 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.456 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -131.15 125.78 33.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.31 90.48 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -91.03 178.16 6.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -93.38 150.73 20.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.699 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.1 t-80 -107.59 122.29 46.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.871 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -125.94 165.3 19.18 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 83' ' ' VAL . 15.5 t -144.02 127.22 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.65 126.81 29.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.071 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.479 HG13 ' CD2' ' A' ' 66' ' ' TYR . 21.3 pt -102.88 -26.39 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.479 ' CD2' HG13 ' A' ' 65' ' ' ILE . 65.2 m-85 -125.11 132.36 53.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -59.56 110.18 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -97.32 131.33 44.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -124.58 107.24 10.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -98.35 -161.42 30.35 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 38.2 m -121.85 -48.79 2.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -173.69 153.48 17.53 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.33 154.63 0.13 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.589 0.709 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.82 -2.25 7.13 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.319 0.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.465 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 33.3 mt-30 -70.56 122.13 19.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.838 HD11 HD12 ' A' ' 104' ' ' LEU . 7.8 tp -109.4 142.61 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 77.2 p -79.84 159.76 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.534 HD21 HG11 ' A' ' 84' ' ' VAL . 18.0 mt -148.41 156.53 42.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -130.02 137.68 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 99.2 mt -49.17 130.11 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.83 17.66 56.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.504 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -112.0 140.23 46.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.993 HG22 HG22 ' A' ' 63' ' ' VAL . 46.0 t -107.16 140.61 24.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.133 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.718 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 28.7 m -127.53 130.94 70.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -68.02 99.29 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.5 mt -68.84 113.57 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -97.11 -42.13 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -141.02 172.5 12.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 15.7 m -140.77 134.16 29.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.6 m -136.14 136.62 40.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 38.02 -120.01 0.84 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.522 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 26.4 t0 -109.84 38.99 2.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.769 0.319 . . . . 0.0 110.872 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.531 ' CZ3' ' HD3' ' A' ' 109' ' ' PRO . 34.9 m95 -148.12 144.14 27.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.55 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 23.2 m-85 -93.98 160.22 14.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.447 ' HG2' HG22 ' A' ' 107' ' ' ILE . 0.0 OUTLIER -126.6 111.46 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.94 -145.8 4.93 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.482 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 3.1 p90 -158.03 172.21 18.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.951 0.405 . . . . 0.0 110.916 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 101' ' ' HIS . 11.8 tp -77.99 119.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 32.0 mt -61.81 -53.27 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.149 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.496 ' HE3' ' CD2' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -56.62 -32.23 65.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.656 ' HB2' HD23 ' A' ' 98' ' ' LEU . 95.2 m-70 -135.0 91.36 2.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.482 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 23.0 mttp -82.17 37.29 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.477 ' HA ' ' HE3' ' A' ' 103' ' ' MET . 0.0 OUTLIER -104.7 -6.66 20.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.838 HD12 HD11 ' A' ' 76' ' ' LEU . 0.2 OUTLIER -139.9 121.44 15.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.95 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -120.95 151.95 39.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.5 -141.24 5.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.447 HG22 ' HG2' ' A' ' 95' ' ' ARG . 31.3 pt -136.06 166.59 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.891 0.376 . . . . 0.0 111.131 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.718 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -159.04 161.23 28.43 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.857 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 93' ' ' TRP . 54.0 Cg_endo -69.7 127.74 15.07 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.55 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 56.0 mtpt -59.19 -31.21 68.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.8 m -63.31 -10.56 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.6 m-85 -103.23 -18.32 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 50.7 mm -97.8 128.66 48.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -98.05 100.96 12.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.469 HD11 ' CZ ' ' A' ' 94' ' ' TYR . 22.3 mm -69.39 100.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.8 mtpt -66.44 81.57 0.09 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -113.06 50.14 0.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 119' ' ' THR . 18.3 m -68.28 -35.66 71.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 118' ' ' VAL . 11.6 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -130.89 168.45 17.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 110.886 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 4' ' ' GLY . 56.7 m -111.64 169.06 9.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -36.35 142.73 0.16 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.441 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.5 t -88.38 33.4 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.823 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 p -109.72 -47.76 3.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 36.89 83.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.51 11.01 3.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.872 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 mt -76.02 -33.39 59.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -146.85 165.6 29.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.976 179.862 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.36 -75.7 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.829 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 mt -121.64 41.71 3.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 10' ' ' LEU . 5.4 mm-40 -58.8 102.87 0.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -42.68 -46.61 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.578 ' H ' HD12 ' A' ' 15' ' ' ILE . 5.3 mp -71.25 140.31 18.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -118.36 76.37 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 18' ' ' PRO . 83.5 mt -52.48 138.53 39.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.641 0.734 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.2 Cg_endo -69.78 174.32 9.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.649 2.232 . . . . 0.0 112.369 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -77.63 -38.69 47.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -122.89 150.76 59.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.611 0.72 . . . . 0.0 111.087 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 131.38 21.1 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 168.61 20.99 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.728 2.285 . . . . 0.0 112.374 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 110.02 2.45 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.371 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.669 HG23 ' HD2' ' A' ' 25' ' ' PRO . 61.1 mt -44.47 138.38 3.77 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.571 0.7 . . . . 0.0 111.19 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.669 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.72 -178.93 2.56 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.363 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.6 mmtt -89.53 134.01 34.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' HG2' ' NE2' ' A' ' 75' ' ' GLN . 12.1 mp0 -67.61 139.46 94.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.731 . . . . 0.0 110.94 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.552 ' HB2' ' CE1' ' A' ' 31' ' ' TYR . 53.2 Cg_endo -69.79 121.5 8.18 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.741 2.294 . . . . 0.0 112.305 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.4 t -81.32 155.01 26.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 64.73 49.04 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' CE1' ' HB2' ' A' ' 28' ' ' PRO . 2.6 m-85 -117.82 35.94 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -76.94 73.87 3.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 33' ' ' PHE . 1.5 p90 -128.24 37.98 4.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.9 t -111.66 -57.91 2.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.79 -164.8 11.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 134.23 27.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -105.11 146.65 28.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.6 t -162.37 144.92 11.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.0 161.28 24.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.651 ' C ' HD12 ' A' ' 40' ' ' ILE . 2.0 pp -80.44 -5.99 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.123 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -90.75 44.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.69 142.8 8.68 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 tpp85 -50.85 -47.81 60.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.46 -131.83 2.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.478 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -120.43 164.4 16.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.88 0.372 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.0 m -112.66 -44.8 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.77 -129.3 6.62 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 t -147.85 172.96 13.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.372 . . . . 0.0 110.849 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 t -169.61 163.01 10.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -165.06 173.9 40.94 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.9 m -136.36 170.78 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 t -133.46 171.71 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -146.88 -170.59 15.37 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -164.97 151.41 10.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.887 0.375 . . . . 0.0 110.889 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.1 m -144.49 148.39 34.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ASP . . . -80.39 52.8 4.39 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' GLY . 3.8 m-20 36.75 41.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 110.855 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -127.78 85.96 2.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -108.04 154.1 22.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -110.82 138.3 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.677 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.9 t-80 -93.95 119.64 33.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.492 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -128.51 167.73 20.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.874 HG22 HG22 ' A' ' 83' ' ' VAL . 10.8 t -141.12 130.71 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.09 132.67 47.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.4 pt -111.32 -20.85 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -128.59 137.72 51.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -65.92 110.53 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -107.07 126.31 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -113.25 106.24 14.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -86.77 -179.56 49.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.2 t -116.58 -36.03 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.886 0.374 . . . . 0.0 110.829 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 171.86 150.01 6.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.548 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -40.82 153.71 0.22 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.627 0.727 . . . . 0.0 111.043 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.72 -3.6 7.73 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.716 -1.785 . . . . 0.0 112.363 -0.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.435 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 39.2 mt-30 -70.97 127.88 34.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.94 HD11 HD12 ' A' ' 104' ' ' LEU . 8.4 tp -117.73 138.59 51.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 98.4 p -77.67 165.84 23.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 113' ' ' ILE . 17.7 mt -150.32 157.71 43.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.15 134.96 48.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 66.4 mt -48.33 131.28 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.166 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 82.91 21.43 59.39 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.45 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -112.04 136.24 51.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.874 HG22 HG22 ' A' ' 63' ' ' VAL . 86.4 t -100.11 134.89 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.663 HG11 HD21 ' A' ' 78' ' ' LEU . 28.4 m -122.63 138.25 53.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -79.33 96.08 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 79.2 mt -69.42 119.41 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -105.09 -40.22 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -138.5 149.99 45.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.5 m -132.9 115.28 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 5.8 t -122.82 136.75 54.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 44.48 -135.29 6.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.423 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 3.7 m-20 -96.61 41.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.76 0.314 . . . . 0.0 110.892 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.426 ' CZ2' ' HG2' ' A' ' 25' ' ' PRO . 65.9 m95 -151.74 143.44 23.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.486 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 19.7 m-85 -93.87 170.71 9.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -139.64 114.26 9.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -177.93 -145.44 5.93 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.44 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.465 ' CE1' ' HD2' ' A' ' 102' ' ' LYS . 3.1 p90 -157.02 164.5 37.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.55 HD12 HG12 ' A' ' 84' ' ' VAL . 9.2 tp -73.62 112.72 9.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.745 HD12 HG12 ' A' ' 83' ' ' VAL . 52.8 mt -53.63 -54.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.592 ' HG3' ' CD2' ' A' ' 101' ' ' HIS . 1.3 ptmm? -52.11 -35.72 48.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.592 ' CD2' ' HG3' ' A' ' 100' ' ' LYS . 87.8 m-70 -133.27 101.78 5.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' HD2' ' CE1' ' A' ' 97' ' ' TYR . 0.2 OUTLIER -80.25 4.91 16.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 34.5 mtm -76.51 -5.85 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.94 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -136.56 137.09 39.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.946 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.405 ' HG2' ' CB ' ' A' ' 97' ' ' TYR . 15.8 mt-30 -147.29 139.0 24.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -179.17 -147.08 7.01 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.0 pt -126.22 157.35 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.371 . . . . 0.0 111.107 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.544 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.9 OUTLIER -148.88 161.15 33.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.473 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.8 Cg_endo -69.77 124.18 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.486 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 5.8 mtpm? -56.82 -23.86 46.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.4 m -68.88 -10.97 59.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.473 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 9.1 m-85 -105.22 -16.99 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.702 HD11 ' CD1' ' A' ' 78' ' ' LEU . 48.1 mm -98.01 135.69 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -110.7 102.65 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.78 HG22 ' H ' ' A' ' 117' ' ' GLU . 17.6 mm -69.28 119.64 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.498 ' HD2' HG23 ' A' ' 63' ' ' VAL . 15.2 mtpp -86.1 12.21 10.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.78 ' H ' HG22 ' A' ' 115' ' ' ILE . 5.3 tp10 33.5 50.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.487 HG12 ' HB3' ' A' ' 61' ' ' HIS . 12.7 p -96.34 -43.28 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.471 ' N ' HG13 ' A' ' 118' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m 59.94 41.93 16.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m -92.8 -50.79 5.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.06 -109.51 3.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -103.93 165.65 10.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.857 0.36 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -65.64 146.13 55.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.36 118.35 8.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -143.09 136.26 28.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.7 tp -76.11 90.29 3.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 tp -40.63 143.95 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.451 ' C ' HD12 ' A' ' 12' ' ' LEU . 1.2 m-20 -84.95 -4.77 59.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.451 HD12 ' C ' ' A' ' 11' ' ' ASP . 10.8 mp -120.71 71.02 0.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -108.88 126.79 53.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -167.58 117.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.22 141.4 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -102.9 90.26 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.638 HG23 ' HD2' ' A' ' 18' ' ' PRO . 78.6 mt -77.2 138.12 64.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.644 0.735 . . . . 0.0 111.149 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.638 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.3 Cg_endo -69.75 158.55 56.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.695 2.264 . . . . 0.0 112.318 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -64.55 -40.94 96.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -121.83 152.3 59.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.578 0.704 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 144.16 52.92 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.88 17.82 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.246 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.4 Cg_endo -69.77 105.92 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 25' ' ' PRO . 84.3 mt -37.23 138.53 0.56 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.593 0.711 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.79 119.35 6.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.236 . . . . 0.0 112.351 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.448 ' C ' ' HD3' ' A' ' 26' ' ' LYS . 1.1 tmtt? -42.72 118.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 34.5 mt-10 -35.55 142.52 0.28 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.613 0.72 . . . . 0.0 110.907 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 107.37 1.85 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.723 2.282 . . . . 0.0 112.299 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.4 m -84.15 48.04 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -175.14 106.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -95.39 125.0 39.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.75 -36.78 21.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.685 ' CD1' ' N ' ' A' ' 34' ' ' SER . 37.7 p90 -92.45 -52.53 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.685 ' N ' ' CD1' ' A' ' 33' ' ' PHE . 2.0 t -61.35 95.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -129.41 146.03 16.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 110.5 2.57 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.288 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.6 p -49.03 -46.71 44.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.9 t -74.3 140.52 44.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 130.42 141.33 4.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.5 pt -95.01 34.17 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.773 0.32 . . . . 0.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -117.17 -47.38 2.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -107.34 44.12 1.55 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.438 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -38.97 -58.95 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.35 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 135.55 -149.55 20.02 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.532 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -120.87 132.93 55.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 t -90.39 143.65 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -130.24 152.91 19.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 47.0 t -111.21 -53.8 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.8 t -110.42 137.85 47.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -140.85 64.74 0.52 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.4 m -128.7 91.13 3.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.3 t -159.84 165.37 32.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -141.78 64.52 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 t -129.77 96.07 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 54.2 p -72.64 141.48 48.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -119.0 90.45 0.49 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.43 113.39 16.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -130.51 41.48 3.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -47.43 172.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.592 ' HB3' HD12 ' A' ' 86' ' ' ILE . 9.8 ttm180 -125.43 158.1 35.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.459 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -109.45 117.78 34.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.41 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -129.97 171.99 20.25 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 83' ' ' VAL . 11.3 t -141.24 129.02 22.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 111.163 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 121.11 15.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.08 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.475 HG13 ' CD2' ' A' ' 66' ' ' TYR . 25.2 pt -96.4 -29.78 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.475 ' CD2' HG13 ' A' ' 65' ' ' ILE . 55.4 m-85 -119.23 126.42 51.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.452 ' N ' HG13 ' A' ' 80' ' ' ILE . 10.3 p30 -62.43 105.01 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -94.7 151.13 19.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -146.79 111.17 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -103.9 -146.8 16.7 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.1 t -127.33 -49.76 1.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -176.11 157.21 22.94 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -38.65 154.05 0.15 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.607 0.718 . . . . 0.0 111.129 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.8 Cg_endo -69.77 -4.16 8.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.375 0.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.424 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 36.8 mt-30 -68.94 128.27 36.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.673 HD23 ' CD1' ' A' ' 108' ' ' PHE . 16.6 tp -113.65 140.67 48.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 t -85.1 164.47 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.537 ' CD1' HD11 ' A' ' 113' ' ' ILE . 18.2 mt -152.86 155.07 36.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -128.69 137.51 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 67' ' ' ASN . 69.4 mt -52.95 131.09 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.02 15.82 66.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -112.08 133.73 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.825 HG22 HG22 ' A' ' 63' ' ' VAL . 70.5 t -97.28 146.49 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 98' ' ' LEU . 18.4 m -135.84 144.85 32.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HG2' ' CD1' ' A' ' 99' ' ' ILE . 16.2 mmt85 -82.36 101.65 10.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.592 HD12 ' HB3' ' A' ' 60' ' ' ARG . 77.2 mt -70.68 115.56 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -96.37 -43.55 7.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -137.15 170.16 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.449 HG23 ' CD1' ' A' ' 94' ' ' TYR . 25.1 m -139.57 108.72 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 91' ' ' GLY . 6.2 t -103.08 117.43 34.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 90' ' ' CYS . . . 36.32 -122.45 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.483 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.554 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 10.1 m-20 -91.78 40.35 1.04 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 39.3 m95 -152.14 136.55 16.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.52 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 24.2 m-85 -95.79 161.58 13.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -127.31 147.66 50.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 152.04 -148.76 20.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.572 ' CE1' ' HG2' ' A' ' 102' ' ' LYS . 4.0 p90 -158.0 178.97 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 110.923 -179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 84' ' ' VAL . 36.2 tp -85.4 129.98 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.902 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.464 ' CD1' ' HG2' ' A' ' 85' ' ' ARG . 1.7 mt -71.67 -55.6 13.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.55 ' HE2' ' CD2' ' A' ' 101' ' ' HIS . 17.0 ptmt -49.16 -22.97 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 100' ' ' LYS . 45.9 m-70 -157.93 108.22 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 97' ' ' TYR . 31.5 mttp -85.24 43.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.489 ' CE ' ' HB3' ' A' ' 101' ' ' HIS . 0.1 OUTLIER -100.01 -25.75 14.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.673 ' O ' HD12 ' A' ' 104' ' ' LEU . 0.7 OUTLIER -118.31 129.24 55.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.515 ' C ' HD13 ' A' ' 76' ' ' LEU . 3.2 mt-30 -139.38 150.13 44.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 165.87 -136.67 4.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.5 pt -131.12 160.16 42.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.862 0.363 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.673 ' CD1' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -152.37 160.13 31.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.596 0.712 . . . . 0.0 110.9 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.496 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.7 Cg_endo -69.77 135.43 30.4 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.52 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 39.7 mtpt -64.68 -35.85 82.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 94.0 p -59.54 -10.69 3.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.496 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 12.4 m-85 -102.62 -23.78 13.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.537 HD11 ' CD1' ' A' ' 78' ' ' LEU . 33.7 mm -91.19 125.68 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.464 ' HB2' HG23 ' A' ' 65' ' ' ILE . 84.6 t60 -104.05 97.81 7.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.61 124.89 21.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 117' ' ' GLU . 7.6 mtpm? -82.93 37.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 116' ' ' LYS . 35.4 tt0 33.86 48.8 0.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 61' ' ' HIS . 29.9 m -81.74 -32.2 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.195 179.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -129.36 -55.91 1.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -95.24 148.77 22.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.823 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.74 -91.06 0.49 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -40.99 -52.21 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -43.71 147.11 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . -169.21 -80.19 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 7' ' ' GLY . 5.1 ptp180 38.11 38.35 0.2 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.812 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 9' ' ' LEU . 2.4 tt -76.71 -0.16 22.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 23.2 tp -70.1 -9.55 55.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.488 ' CG ' ' C ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -166.28 109.29 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 9' ' ' LEU . 4.3 mm? -104.63 35.1 2.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -88.35 38.97 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 51.47 41.17 28.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.69 HG22 ' H ' ' A' ' 17' ' ' ILE . 50.7 mm -106.0 143.18 17.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -109.34 35.8 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.69 ' H ' HG22 ' A' ' 15' ' ' ILE . 80.4 mt -101.79 135.65 19.7 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.552 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.8 Cg_endo -69.78 179.06 3.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.242 . . . . 0.0 112.329 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -74.08 -44.67 53.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.532 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -132.26 158.98 74.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.618 0.723 . . . . 0.0 111.068 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.558 ' HB3' ' CD1' ' A' ' 66' ' ' TYR . 53.2 Cg_endo -69.81 137.17 34.69 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 158.24 57.64 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.649 2.233 . . . . 0.0 112.363 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.77 110.59 2.59 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.669 2.246 . . . . 0.0 112.368 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.672 HG23 ' HD2' ' A' ' 25' ' ' PRO . 86.9 mt -34.69 138.69 0.33 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.735 . . . . 0.0 111.143 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.672 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.6 Cg_endo -69.77 -178.83 2.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 0.0 112.336 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -90.09 131.91 35.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.507 ' O ' ' CE ' ' A' ' 26' ' ' LYS . 70.4 mt-10 -52.78 121.59 23.35 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.606 0.717 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.565 ' HD3' ' CD1' ' A' ' 93' ' ' TRP . 54.0 Cg_endo -69.73 128.45 16.07 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.653 2.235 . . . . 0.0 112.357 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -104.17 176.78 5.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 53.95 40.34 31.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 28' ' ' PRO . 24.0 m-85 -40.66 150.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -82.39 -59.9 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.831 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 95' ' ' ARG . 7.2 p90 -62.37 124.24 20.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.9 p -156.88 137.55 13.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -83.49 -158.83 27.07 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 2.34 3.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.4 p -45.92 -26.92 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.853 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 t -49.27 123.73 7.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.92 62.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.0 pt -144.42 176.1 2.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.872 0.368 . . . . 0.0 111.091 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -111.59 -47.44 3.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.3 52.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -108.79 153.44 23.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.4 106.2 2.71 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.6 m -141.64 174.44 10.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.941 0.401 . . . . 0.0 110.816 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.5 p -81.35 167.44 19.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.87 -94.63 1.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -47.96 158.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.859 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.0 m -126.7 -52.94 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.41 81.39 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.2 p -61.22 141.75 57.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.935 0.398 . . . . 0.0 110.825 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 26.8 t -100.01 158.22 15.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.865 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.72 161.68 51.17 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.1 m -144.96 111.59 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.898 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.2 m -74.21 158.0 34.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.18 -57.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -38.99 148.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -110.14 89.83 3.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.51 163.98 26.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD3' ' CG2' ' A' ' 115' ' ' ILE . 14.4 ttm180 -110.67 148.55 32.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.802 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -100.46 124.62 46.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.79 169.84 20.14 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.516 HG21 ' HD2' ' A' ' 116' ' ' LYS . 16.6 t -144.23 126.96 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.54 ' HB2' ' OD1' ' A' ' 82' ' ' ASP . . . -66.04 121.97 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 11.4 pt -103.72 -32.51 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.565 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 52.3 m-85 -116.19 130.65 56.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -64.02 112.55 3.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -106.79 131.95 53.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -115.05 113.14 23.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.89 -176.95 33.66 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -118.88 -44.31 2.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.901 0.382 . . . . 0.0 110.836 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.56 149.45 7.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.48 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.563 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -36.12 150.29 0.12 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.55 0.69 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.563 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 54.0 Cg_endo -69.73 -2.62 7.19 Favored 'Cis proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.725 -1.781 . . . . 0.0 112.375 -0.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' NE2' ' OE2' ' A' ' 27' ' ' GLU . 63.3 mt-30 -68.46 137.41 54.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.678 HD23 ' CD2' ' A' ' 108' ' ' PHE . 13.6 tp -128.1 138.57 52.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 52.1 p -80.08 166.85 21.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.701 HD21 HG11 ' A' ' 84' ' ' VAL . 12.2 mt -151.03 154.63 37.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 44.6 mt-30 -129.08 133.45 47.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.2 mt -54.19 121.61 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 99.1 19.4 21.58 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.54 ' OD1' ' HB2' ' A' ' 64' ' ' ALA . 0.4 OUTLIER -109.79 148.87 30.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.868 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.802 HG11 ' NE2' ' A' ' 61' ' ' HIS . 92.9 t -112.22 112.94 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.701 HG11 HD21 ' A' ' 78' ' ' LEU . 21.8 m -108.05 133.08 54.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -71.1 111.4 6.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 91.0 mt -80.83 114.16 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -95.94 -43.81 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -140.23 174.12 10.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.499 HG23 ' CD1' ' A' ' 94' ' ' TYR . 75.3 m -144.83 115.69 7.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.181 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 39.5 m -119.46 115.56 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 51.52 -126.67 28.82 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.525 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.585 ' C ' ' CD1' ' A' ' 93' ' ' TRP . 1.1 m-20 -96.47 37.94 1.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.739 0.304 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.585 ' CD1' ' C ' ' A' ' 92' ' ' ASP . 31.0 m95 -153.47 137.23 16.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.615 ' CE2' ' CB ' ' A' ' 110' ' ' LYS . 12.4 m-85 -94.0 174.35 7.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 33' ' ' PHE . 2.2 tmm_? -135.82 109.11 7.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.898 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -168.32 -147.66 5.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.9 p90 -157.55 161.28 38.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.922 0.391 . . . . 0.0 110.921 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.45 ' HG ' ' CG ' ' A' ' 100' ' ' LYS . 20.2 tp -70.5 115.5 9.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.787 HD12 HG12 ' A' ' 83' ' ' VAL . 70.2 mt -57.46 -55.43 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.45 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 10.1 ptmt -52.76 -26.03 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 98' ' ' LEU . 37.7 m-70 -144.63 104.98 4.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -83.58 30.76 0.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.5 ' HG3' ' CD1' ' A' ' 104' ' ' LEU . 9.7 ptm -107.15 -18.33 13.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD1' ' HG3' ' A' ' 103' ' ' MET . 1.1 mp -111.95 101.1 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -115.39 148.55 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 167.2 -141.8 7.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 24.6 pt -131.41 164.12 35.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 111.141 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.678 ' CD2' HD23 ' A' ' 76' ' ' LEU . 2.4 p90 -160.74 159.9 25.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.658 0.742 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 114.94 3.87 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.683 2.255 . . . . 0.0 112.353 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.615 ' CB ' ' CE2' ' A' ' 94' ' ' TYR . 17.0 ptmt -53.17 -35.0 59.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 77.5 p -57.37 -14.41 4.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.823 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 5.6 m-85 -98.65 -13.42 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' A' ' 78' ' ' LEU . 38.5 mm -100.52 126.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.118 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -95.16 110.52 22.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.449 ' CG2' ' HD3' ' A' ' 60' ' ' ARG . 29.2 mm -74.85 107.45 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.132 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.516 ' HD2' HG21 ' A' ' 63' ' ' VAL . 9.0 mtpm? -81.74 91.85 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -92.83 48.97 1.39 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 19.7 m -82.21 -20.58 10.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.172 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -148.44 160.03 43.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.838 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -136.03 170.45 15.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.34 -152.04 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 t -162.28 138.6 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -115.03 160.6 19.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.61 -170.62 35.1 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -119.55 145.78 46.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.6 tp -154.51 113.22 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -43.46 145.22 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.953 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.544 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.4 OUTLIER -172.62 111.53 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 11' ' ' ASP . 4.4 tt -35.34 -54.88 0.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -103.54 148.2 26.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -82.55 -45.91 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.3 mp -74.12 141.26 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -131.38 91.69 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.589 HG23 ' HD2' ' A' ' 18' ' ' PRO . 86.2 mt -98.09 136.63 20.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.643 0.735 . . . . 0.0 111.186 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.589 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.3 Cg_endo -69.68 -178.38 2.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.722 2.281 . . . . 0.0 112.331 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -83.53 -36.19 24.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 21' ' ' PRO . . . -114.37 157.65 41.96 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.604 0.716 . . . . 0.0 111.088 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 53.9 Cg_endo -69.73 123.34 10.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 159.22 54.27 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.384 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 114.77 3.82 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 25' ' ' PRO . 74.5 mt -54.12 137.32 57.7 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.604 0.716 . . . . 0.0 111.153 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.72 178.26 4.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.263 . . . . 0.0 112.375 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' GLU . 6.8 tppt? -76.25 114.38 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' LYS . 3.9 tm-20 -35.32 126.68 0.57 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.636 0.731 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.471 ' HD3' ' NE1' ' A' ' 93' ' ' TRP . 54.2 Cg_endo -69.77 119.78 6.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.655 2.236 . . . . 0.0 112.368 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -91.3 47.9 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -135.03 42.26 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.691 ' CE2' HG21 ' A' ' 107' ' ' ILE . 6.7 m-85 -123.67 37.72 4.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 33' ' ' PHE . 16.2 t70 -63.66 -39.64 94.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 32' ' ' ASP . 1.2 p90 -34.95 129.83 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.8 m -98.98 93.15 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.71 -156.6 4.23 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' SER . 54.0 Cg_endo -69.77 2.86 3.16 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.634 2.222 . . . . 0.0 112.361 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' PRO . 50.8 m -34.0 -49.45 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' SER . 93.0 p 34.7 51.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.6 -47.6 0.96 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.455 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.792 ' O ' HD12 ' A' ' 40' ' ' ILE . 2.7 pp -117.93 30.06 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.751 0.31 . . . . 0.0 111.114 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 7.9 tm-20 -59.86 164.65 3.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' O ' ' C ' ' A' ' 43' ' ' ARG . . . -35.18 106.26 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -32.58 121.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.848 0.356 . . . . 0.0 110.83 -179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' SER . . . 154.47 39.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.522 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' GLY . 4.3 m 37.14 39.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.8 m -93.85 170.47 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.17 87.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.8 t -113.93 151.24 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.858 0.361 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.8 p -64.48 135.74 56.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -77.77 -156.68 8.57 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -89.34 162.78 15.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.893 0.377 . . . . 0.0 110.813 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.5 t -73.53 107.29 5.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.25 -61.68 0.14 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.8 t -64.07 94.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 0.0 110.832 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 56' ' ' GLY . 64.1 m -60.05 -53.09 61.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.803 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 55' ' ' SER . . . 35.77 81.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.478 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.97 -52.36 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.55 79.66 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -42.32 155.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -97.28 138.22 35.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.78 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-80 -90.81 121.15 32.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -125.77 158.0 19.94 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.96 HG22 HG22 ' A' ' 83' ' ' VAL . 9.3 t -139.83 127.74 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.815 0.341 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.37 134.81 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.067 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.4 pt -112.68 -28.52 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.171 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.458 ' CD1' ' HB3' ' A' ' 21' ' ' PRO . 41.5 m-85 -120.33 131.2 54.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.563 ' ND2' ' H ' ' A' ' 80' ' ' ILE . 8.8 m120 -60.1 115.0 3.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -108.75 138.17 45.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -122.98 116.84 24.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.46 -173.53 22.34 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.447 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -119.83 -48.49 2.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.884 0.373 . . . . 0.0 110.831 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -175.97 153.58 15.09 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.545 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.97 154.15 0.12 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.548 0.69 . . . . 0.0 111.12 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.5 Cg_endo -69.8 -3.45 7.76 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.343 0.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.435 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 20.5 mt-30 -69.0 144.1 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.743 HD11 HD12 ' A' ' 104' ' ' LEU . 8.2 tp -132.0 140.66 49.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.7 p -77.76 166.87 22.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.62 HD21 HG11 ' A' ' 84' ' ' VAL . 20.5 mt -155.67 152.91 29.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -128.31 132.98 48.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.563 ' H ' ' ND2' ' A' ' 67' ' ' ASN . 77.3 mt -49.44 123.79 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.67 20.89 27.79 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.484 ' OD1' HG13 ' A' ' 84' ' ' VAL . 1.1 p30 -108.96 138.95 44.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.96 HG22 HG22 ' A' ' 63' ' ' VAL . 77.2 t -105.5 111.97 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.62 HG11 HD21 ' A' ' 78' ' ' LEU . 12.6 m -108.99 144.42 17.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.122 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -81.88 122.99 28.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.7 mt -89.84 122.44 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.13 -41.87 5.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -133.54 151.4 51.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.422 HG23 ' HE2' ' A' ' 110' ' ' LYS . 98.5 m -134.71 112.58 10.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.151 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 53.8 m -126.45 139.72 53.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 41.16 -124.96 3.03 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.475 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.586 ' O ' ' CD1' ' A' ' 93' ' ' TRP . 1.5 m-20 -108.75 45.77 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.826 0.346 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CD1' ' O ' ' A' ' 92' ' ' ASP . 52.0 m95 -154.12 137.21 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.568 ' CE1' ' HE2' ' A' ' 110' ' ' LYS . 23.0 m-85 -94.14 162.14 13.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.914 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.448 ' HG2' HG22 ' A' ' 107' ' ' ILE . 0.8 OUTLIER -132.01 113.86 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -174.77 -143.23 4.37 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -157.95 164.72 36.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.908 0.385 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.55 HD21 ' HD2' ' A' ' 100' ' ' LYS . 37.8 tp -74.94 117.56 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.955 HD12 HG12 ' A' ' 83' ' ' VAL . 35.4 mt -61.14 -55.19 26.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.55 ' HD2' HD21 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -49.83 -28.22 6.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.403 ' HB2' HD23 ' A' ' 98' ' ' LEU . 97.5 m-70 -149.28 105.23 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.3 mttm -84.07 31.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.931 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 27.8 mtp -95.81 -9.35 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.743 HD12 HD11 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -133.43 123.8 25.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.954 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -130.67 150.07 52.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 166.93 -145.91 10.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.691 HG21 ' CE2' ' A' ' 31' ' ' TYR . 45.9 pt -127.64 165.05 27.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.364 . . . . 0.0 111.15 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.543 ' CD2' HD23 ' A' ' 76' ' ' LEU . 0.8 OUTLIER -159.69 161.22 27.12 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.629 0.728 . . . . 0.0 110.904 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 122.86 9.54 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.568 ' HE2' ' CE1' ' A' ' 94' ' ' TYR . 5.6 mtpm? -54.56 -32.81 59.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -60.36 -12.69 9.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.438 ' CD2' ' HB2' ' A' ' 66' ' ' TYR . 6.1 m-85 -102.66 -17.37 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mm -99.29 128.72 50.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -104.24 114.62 28.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.19 117.06 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -77.06 47.11 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.71 88.19 5.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -73.62 -42.72 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.5 m -140.24 115.73 10.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 110.894 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -57.87 -61.19 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.4 -62.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.443 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.4 p -111.5 41.87 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.846 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -97.58 141.6 30.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.96 173.64 47.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.45 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.5 mtt-85 -110.2 150.25 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 tt -92.73 90.85 7.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -75.08 179.75 4.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.24 112.71 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.803 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 tt -125.95 -64.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -94.09 -175.06 3.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.45 -44.12 10.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.7 mt -96.26 132.9 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -132.39 63.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.651 HG23 ' HD2' ' A' ' 18' ' ' PRO . 76.9 mt -109.26 138.45 20.48 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.637 0.732 . . . . 0.0 111.164 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.651 ' HD2' HG23 ' A' ' 17' ' ' ILE . 54.4 Cg_endo -69.7 177.27 5.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.83 -35.37 14.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -124.9 150.9 67.6 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.566 0.698 . . . . 0.0 111.073 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 53.8 Cg_endo -69.76 115.12 3.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 21' ' ' PRO . 53.9 Cg_endo -69.74 169.73 18.19 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.356 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 114.58 3.74 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.36 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.542 HG23 ' HD2' ' A' ' 25' ' ' PRO . 72.5 mt -51.35 136.02 31.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.651 0.739 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.542 ' HD2' HG23 ' A' ' 24' ' ' ILE . 53.5 Cg_endo -69.81 -179.11 2.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.33 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.34 139.72 32.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.02 124.33 51.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' HD3' ' CE2' ' A' ' 93' ' ' TRP . 53.6 Cg_endo -69.81 120.72 7.45 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.357 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 m -100.18 48.66 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -131.04 47.2 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 90' ' ' CYS . 33.1 m-85 -116.54 155.16 29.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -129.35 -48.0 1.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.833 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -35.5 121.72 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 41.9 t -92.14 105.07 17.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.11 151.86 25.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.526 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -37.23 9.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.74 2.293 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.7 m -79.49 83.06 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.2 p -157.73 145.42 18.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -106.55 154.3 16.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.853 ' H ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -125.17 138.66 53.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.134 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 40' ' ' ILE . 5.4 tt0 -35.11 103.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.39 -111.27 1.84 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -171.27 159.94 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.911 0.386 . . . . 0.0 110.879 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.48 96.11 2.42 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.6 m -94.24 105.62 17.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 t -81.43 117.83 22.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.48 56.38 0.63 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.5 p -72.47 172.55 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.9 m -95.72 175.31 6.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.9 -92.54 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.4 t -61.74 100.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.793 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.6 p -80.17 175.31 10.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.5 65.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.5 m -72.09 -51.99 18.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.7 m -143.61 152.62 41.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.44 39.36 1.94 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.16 42.7 1.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.93 0.395 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -83.47 39.76 0.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -56.7 150.31 16.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -89.3 150.46 22.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.826 ' NE2' HG11 ' A' ' 83' ' ' VAL . 1.5 t-160 -107.39 124.62 50.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.29 171.19 21.18 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.778 HG22 HG22 ' A' ' 83' ' ' VAL . 5.4 t -146.03 130.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 111.183 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 79' ' ' GLN . . . -67.25 124.96 24.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.058 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 31.6 pt -104.05 -19.19 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.506 ' HB2' ' CD2' ' A' ' 112' ' ' PHE . 49.1 m-85 -132.62 128.89 38.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -58.14 107.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -101.08 127.26 47.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -116.71 110.44 18.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -101.55 -166.22 27.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.444 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.6 t -118.2 -48.45 2.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 177.77 158.3 20.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.25 149.52 0.18 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.572 0.701 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.6 Cg_endo -69.76 -7.84 10.18 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 -1.793 . . . . 0.0 112.337 -0.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -69.74 137.49 52.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.87 HD11 HD12 ' A' ' 104' ' ' LEU . 7.9 tp -126.29 140.0 52.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -81.33 156.38 25.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.675 HD21 HG11 ' A' ' 84' ' ' VAL . 20.0 mt -143.99 156.65 44.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.441 ' O ' ' HB3' ' A' ' 64' ' ' ALA . 45.6 mt-30 -128.37 139.21 52.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 56.4 mt -52.68 137.54 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.69 15.22 81.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.467 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.73 132.49 52.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.826 HG11 ' NE2' ' A' ' 61' ' ' HIS . 74.6 t -97.23 131.48 43.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.675 HG11 HD21 ' A' ' 78' ' ' LEU . 31.6 m -121.09 142.58 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.108 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -84.36 104.19 14.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 83.0 mt -75.22 132.03 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -117.46 -32.22 4.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -146.46 145.76 30.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 86.0 m -130.56 117.41 19.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 31' ' ' TYR . 69.0 m -124.94 138.67 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 47.33 -125.1 9.94 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -107.5 26.87 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.493 ' CE2' ' HD3' ' A' ' 28' ' ' PRO . 20.4 m95 -133.07 145.39 50.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CD2' ' HG2' ' A' ' 110' ' ' LYS . 10.7 m-85 -96.6 165.14 12.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.95 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -133.42 110.85 10.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.6 -150.01 6.9 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 97' ' ' TYR . 4.3 p90 -157.05 161.52 39.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.947 0.404 . . . . 0.0 110.918 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.494 ' HA ' HG12 ' A' ' 84' ' ' VAL . 8.1 tp -70.32 113.23 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.707 HD12 HG12 ' A' ' 83' ' ' VAL . 58.9 mt -55.38 -49.84 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.09 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.465 ' CG ' ' HG ' ' A' ' 98' ' ' LEU . 7.8 ptpp? -59.58 -22.92 62.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.582 ' HB2' HD21 ' A' ' 104' ' ' LEU . 98.6 m-70 -147.51 105.08 3.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -83.9 2.13 40.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.42 ' HG2' HD23 ' A' ' 104' ' ' LEU . 22.5 ptp -72.26 -10.39 59.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.87 HD12 HD11 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -128.64 131.96 48.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -145.08 143.24 30.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 175.63 -142.41 6.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.474 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 36.5 pt -127.6 164.81 27.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 111.171 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -157.73 160.96 29.85 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.684 0.754 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.513 ' HG2' ' CD1' ' A' ' 112' ' ' PHE . 53.4 Cg_endo -69.83 123.66 10.3 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.661 2.241 . . . . 0.0 112.344 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 94' ' ' TYR . 7.9 mtpm? -57.45 -23.46 49.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 89.0 p -71.62 -8.56 54.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.513 ' CD1' ' HG2' ' A' ' 109' ' ' PRO . 10.9 m-85 -105.62 -15.21 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.663 HD11 ' CD1' ' A' ' 78' ' ' LEU . 48.5 mm -102.24 126.3 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.119 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -99.92 102.96 14.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 29.3 mm -66.85 111.03 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.148 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.9 mtmm -88.5 104.39 16.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -128.85 87.96 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 14.3 m -81.0 -3.82 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -158.31 170.86 21.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 p -95.82 138.46 33.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.72 -121.72 4.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.458 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -87.83 82.46 7.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.857 0.36 . . . . 0.0 110.812 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.0 p -130.98 43.37 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.4 -179.58 50.42 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -111.46 121.54 45.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' C ' HD12 ' A' ' 10' ' ' LEU . 2.2 tt -152.3 108.9 3.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD12 ' C ' ' A' ' 9' ' ' LEU . 5.1 mp -110.66 -20.16 12.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -63.08 -8.49 7.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.792 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -39.59 -37.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -73.8 92.45 2.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.76 90.11 3.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.8 mm -103.48 136.69 35.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -133.2 107.09 7.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.985 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.613 HG23 ' HD2' ' A' ' 18' ' ' PRO . 85.8 mt -101.56 137.57 19.64 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.613 ' HD2' HG23 ' A' ' 17' ' ' ILE . 53.8 Cg_endo -69.77 152.95 69.38 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.672 2.248 . . . . 0.0 112.292 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -60.77 -39.65 89.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -116.84 151.52 47.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 121.66 8.34 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.731 2.288 . . . . 0.0 112.325 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 159.93 51.57 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 24' ' ' ILE . 53.8 Cg_endo -69.76 110.24 2.51 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 25' ' ' PRO . 71.5 mt -34.52 138.59 0.33 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 0.0 111.108 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.2 Cg_endo -69.74 -178.22 2.23 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.707 2.271 . . . . 0.0 112.342 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.417 ' H ' ' CD ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -90.85 134.48 34.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.887 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -46.19 143.15 3.77 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.556 ' HD3' ' CD1' ' A' ' 93' ' ' TRP . 53.8 Cg_endo -69.7 175.51 7.96 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.0 m -61.86 179.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -41.22 102.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.474 ' CE2' ' HG3' ' A' ' 74' ' ' PRO . 9.7 m-85 -43.32 114.65 0.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.31 91.52 1.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -112.05 -175.05 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.8 m -86.55 50.22 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 158.72 146.55 4.57 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.11 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 m -148.04 128.53 14.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.2 m -39.63 -45.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.84 -126.07 7.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 pt -152.5 170.55 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.804 0.335 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -40.65 -45.33 2.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.8 142.99 7.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -57.46 -54.61 44.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.905 0.383 . . . . 0.0 110.906 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -111.84 133.56 11.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.0 m -73.2 88.21 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.911 0.386 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 t -167.27 110.04 0.67 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.25 149.75 5.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.4 m -159.63 156.77 28.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -123.28 42.11 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.826 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 37.14 -146.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.492 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.9 p -163.86 146.15 9.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 110.831 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.4 t -132.88 167.13 20.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.89 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.85 66.03 1.38 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 t -82.63 -50.5 8.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.823 0.344 . . . . 0.0 110.814 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 m -149.48 145.32 26.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 144.47 90.55 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.34 49.66 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.351 . . . . 0.0 110.834 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -100.67 35.6 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -93.69 -178.55 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -103.77 145.57 29.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.82 ' NE2' HG11 ' A' ' 83' ' ' VAL . 2.0 t-80 -105.65 119.24 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -122.9 157.09 17.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 1.018 HG22 HG22 ' A' ' 83' ' ' VAL . 19.1 t -138.83 129.01 32.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.829 0.347 . . . . 0.0 111.146 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 130.8 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 23.8 pt -109.1 -16.27 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.423 ' OH ' ' CG2' ' A' ' 17' ' ' ILE . 51.3 m-85 -132.64 145.78 51.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -71.32 101.92 2.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -96.19 124.6 40.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -123.26 111.26 16.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.63 -143.07 13.58 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 m -133.94 -44.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' ALA . . . 176.09 156.66 15.56 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 74' ' ' PRO . . . -37.19 151.18 0.13 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 73' ' ' ALA . 53.4 Cg_endo -69.82 -3.19 7.63 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.329 0.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.42 ' N ' ' HA ' ' A' ' 73' ' ' ALA . 28.7 mt-30 -73.67 123.94 25.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.753 HD11 HD12 ' A' ' 104' ' ' LEU . 5.5 tp -112.67 139.61 48.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.5 m -77.36 164.58 25.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.471 ' CD1' HD11 ' A' ' 113' ' ' ILE . 13.5 mt -153.38 153.35 32.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.99 136.69 49.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.3 mt -47.06 132.87 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 85.81 15.56 65.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -106.97 136.35 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 1.018 HG22 HG22 ' A' ' 63' ' ' VAL . 63.0 t -105.02 138.29 30.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' A' ' 108' ' ' PHE . 17.6 m -129.78 142.0 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.093 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -80.06 104.57 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 74.6 mt -73.85 124.92 32.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -114.34 -36.42 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 95' ' ' ARG . 12.9 tt0 -148.86 158.74 44.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.8 m -124.75 125.02 43.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.162 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 m -111.27 97.96 7.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 56.74 -124.94 37.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.472 ' OD2' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -83.9 13.16 5.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.556 ' CD1' ' HD3' ' A' ' 28' ' ' PRO . 10.2 m95 -128.09 155.09 44.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE2' ' HG2' ' A' ' 110' ' ' LYS . 30.7 m-85 -98.97 -178.05 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 88' ' ' GLU . 2.7 tmm_? -143.58 110.56 5.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -172.28 -152.27 8.43 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 97' ' ' TYR . 4.5 p90 -155.25 177.94 10.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.908 0.385 . . . . 0.0 110.929 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.966 HD23 ' HB2' ' A' ' 101' ' ' HIS . 6.5 tp -83.31 115.56 22.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.607 ' CD1' HG12 ' A' ' 83' ' ' VAL . 32.7 mt -59.66 -40.72 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.15 -29.27 42.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.966 ' HB2' HD23 ' A' ' 98' ' ' LEU . 96.4 m-70 -134.96 66.65 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -52.82 -25.32 11.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 28.4 mtm -42.02 -23.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.883 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 98' ' ' LEU . 0.2 OUTLIER -117.08 125.0 50.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -134.5 142.27 46.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.74 -146.1 7.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 29.4 pt -126.24 167.62 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.844 0.354 . . . . 0.0 111.181 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.485 ' CZ ' HG21 ' A' ' 84' ' ' VAL . 0.7 OUTLIER -160.16 161.04 26.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.85 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 132.94 24.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.683 2.255 . . . . 0.0 112.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.561 ' HG2' ' CE2' ' A' ' 94' ' ' TYR . 36.6 mtpt -63.38 -29.19 70.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.4 m -62.34 -17.63 59.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -100.71 -13.16 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 78' ' ' LEU . 43.4 mm -99.15 128.11 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -102.69 97.97 8.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 28.0 mm -65.59 100.93 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -90.6 129.79 36.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.06 85.82 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -125.29 -59.06 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 stop_ save_