data_2ebk_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 2ebk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -70.92 -57.74 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -54.96 -42.03 71.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 35.3 tp10 -62.0 -30.5 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.52 -51.56 9.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -63.65 -54.08 41.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 p -45.9 -28.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -75.78 -37.29 59.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -12.62 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.46 9.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -109.01 110.39 21.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -138.18 129.57 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -114.85 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -48.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -147.39 129.1 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 m -144.79 115.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -119.15 128.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -145.96 144.9 30.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.454 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.5 tmt_? -121.72 113.6 19.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 pp -115.64 137.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -91.13 134.74 34.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -130.67 158.07 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -135.42 133.57 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.29 -175.64 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -84.41 22.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 40.43 -155.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -105.97 -25.64 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.905 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.12 72.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 44.38 27.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.5 157.59 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.57 121.43 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.85 129.25 26.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.04 4.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.1 mt -117.26 144.7 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.76 107.13 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -113.58 107.36 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.454 HG22 ' CG ' ' A' ' 43' ' ' ARG . 55.8 t -106.78 101.85 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CD2' HG12 ' A' ' 107' ' ' VAL . 60.7 m-85 -95.89 132.59 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -120.75 130.42 54.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 mt -106.0 96.55 13.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -176.17 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 m -80.01 -24.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 70' ' ' SER . 3.9 m120 -81.23 -36.43 30.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 69' ' ' PRO . 0.3 OUTLIER -44.5 146.94 1.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.929 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.3 Cg_endo -69.8 -14.33 12.55 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.304 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 4.7 t -35.1 -44.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.9 t -105.39 155.66 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.54 141.11 68.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.34 62.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.49 100.85 2.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.48 HG12 ' CE1' ' A' ' 62' ' ' PHE . 30.1 mt -97.1 141.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.2 t -137.66 109.25 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mm -94.22 131.91 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -154.87 119.96 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 t -126.05 134.0 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.31 -20.55 65.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -90.49 -60.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.08 164.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.5 p -88.23 -177.72 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -70.19 -29.75 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.69 -48.66 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -52.83 -53.77 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 15.7 p -52.04 -42.21 62.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.76 -37.73 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -65.67 -45.62 82.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -54.69 -48.34 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 92' ' ' GLU . 9.1 tttm -59.46 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' LYS . 11.0 mm-40 -35.3 -46.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -64.41 -57.58 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mp -45.25 -52.9 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.88 -54.61 42.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.96 -44.53 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -66.6 -46.45 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.28 -46.05 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -43.3 -57.76 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -62.66 -24.15 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.6 27.27 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.51 167.82 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.46 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 21.9 t 45.79 26.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -151.99 157.04 34.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.718 0.771 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.417 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.76 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -98.46 1.77 47.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 62' ' ' PHE . 45.9 t -77.01 -30.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -86.93 -44.1 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -66.11 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 106' ' ' MET . 48.7 mt -34.6 -38.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.38 -67.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.8 mp -56.38 -13.08 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' HD13 ' A' ' 121' ' ' ILE . 78.3 t90 -81.99 -53.99 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.436 ' CD1' HD11 ' A' ' 121' ' ' ILE . 6.2 tp -69.03 -31.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.412 ' N ' HG22 ' A' ' 114' ' ' ILE . 1.3 mp0 -59.9 -26.69 66.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -104.27 -47.56 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -84.7 35.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.82 -63.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -58.89 -24.39 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -71.45 -55.17 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.436 HD11 ' CD1' ' A' ' 114' ' ' ILE . 52.3 mt -59.22 -43.75 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 51' ' ' PHE . 41.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.452 HG12 ' CD1' ' A' ' 64' ' ' LEU . 76.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.81 0.338 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -65.35 -51.94 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 4.3 mm-40 -50.7 -49.35 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -52.66 -42.98 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.32 -60.28 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' ALA . 17.8 m -50.61 -57.78 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 14' ' ' GLU . 76.6 t -38.66 -56.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.69 -36.11 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' SER . . . -56.97 -13.58 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -48.51 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -151.01 118.81 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -143.71 114.41 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -94.17 110.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.69 -58.43 6.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -153.45 158.66 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 m -98.78 136.0 39.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.178 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -130.52 115.34 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -140.45 145.94 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -130.86 109.88 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.522 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 1.1 pp -113.91 145.18 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -92.98 142.04 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 151.17 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -118.11 127.82 54.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.82 172.9 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 -9.79 11.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.66 176.58 6.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 119' ' ' ARG . 38.4 m-85 -90.02 -48.23 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptm -95.79 35.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.51 51.41 6.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.88 122.03 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -45.52 117.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 46.6 mm -99.11 135.66 20.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.76 106.58 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.2 mt -116.11 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -115.95 116.43 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.44 124.14 50.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.6 t -117.72 108.09 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CD2' HG13 ' A' ' 107' ' ' VAL . 43.2 m-85 -101.84 128.44 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -122.26 133.58 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.452 ' CD1' HG12 ' A' ' 12' ' ' VAL . 5.3 mt -106.65 103.06 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.82 -176.06 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.308 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.0 14.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 70' ' ' SER . 5.2 m120 -122.21 -30.63 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -49.92 150.03 4.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.72 0.771 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 54.5 Cg_endo -69.72 -16.02 12.26 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.392 -0.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.1 t -35.53 -46.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.1 t -99.64 167.67 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 98' ' ' ALA . 12.5 mt -84.12 142.76 41.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.673 0.749 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.66 63.39 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.5 73.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.9 mt -72.98 131.7 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 t -139.21 113.88 9.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.93 123.97 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -154.95 120.1 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 t -125.88 155.61 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -69.39 -23.98 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -94.01 -55.71 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -43.3 156.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.5 p -100.37 -177.94 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -66.51 -32.05 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.52 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.18 -49.6 75.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -54.19 -34.16 59.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.5 t -72.31 -46.51 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.1 m -57.93 -60.86 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -37.78 -61.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -48.1 -60.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -39.18 -38.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -59.66 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.66 -38.92 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' ALA . 4.4 mm? -59.76 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.6 tm-20 -37.53 -49.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' NE2' ' CZ2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -70.14 -34.26 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -51.18 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ALA . 12.4 mt-10 -36.4 -63.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -53.45 -37.31 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ALA . 21.2 mt -86.77 30.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.05 162.4 29.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.6 m 54.38 41.8 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 8.3 pt-20 -168.63 152.01 5.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 81.23 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.5 ptp -82.2 -24.36 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.415 HG13 ' CD2' ' A' ' 62' ' ' PHE . 87.0 t -37.08 -53.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -66.81 -54.4 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -48.71 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.7 mt -40.32 -51.79 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.9 t -50.8 -49.76 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -72.14 -16.6 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.405 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 82.2 t90 -77.4 -66.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.433 ' CD1' HD13 ' A' ' 121' ' ' ILE . 7.7 tp -52.64 -42.29 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -51.69 -23.68 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.16 -44.47 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -95.63 35.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.88 -42.46 63.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 15.4 ttp180 -80.33 -40.42 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -37.66 51.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 114' ' ' ILE . 66.3 mt -65.8 -45.74 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.76 0.314 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -58.7 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.02 -47.52 82.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -52.09 -51.31 58.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.3 -60.2 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -43.55 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -39.62 -50.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.6 mt -56.56 -54.91 40.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.87 -35.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.09 91.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 108' ' ' HIS . 19.2 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -94.03 117.93 30.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -139.63 131.3 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -121.35 105.16 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 mt -42.66 -67.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -151.64 159.39 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.5 m -110.92 125.78 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -124.91 127.83 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -149.67 162.32 40.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -145.71 133.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 pp -125.25 149.73 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -87.24 124.91 33.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 t -126.2 152.31 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -136.01 136.11 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.95 172.1 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.84 -5.01 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.34 -150.29 47.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 1.3 m-30 -111.23 -37.99 5.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASP . 10.3 tpt -119.99 74.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' MET . 57.5 m-20 35.94 45.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.25 143.46 47.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 114.82 22.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 17.5 mm -88.66 138.17 29.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.77 90.55 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.342 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.09 144.15 28.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -124.5 117.8 25.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -117.3 106.81 13.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -104.54 103.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -94.41 132.59 38.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -120.58 124.63 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.8 mt -106.13 96.54 13.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -173.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.01 -27.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -76.75 -42.77 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.643 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -38.55 150.03 0.21 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.674 0.75 . . . . 0.0 110.905 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.63 10.6 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.342 -0.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.3 m -38.78 -47.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t -101.32 147.54 26.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.86 142.86 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 134.06 27.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.1 88.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.5 mt -86.17 140.47 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 t -134.42 130.85 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mm -122.11 107.82 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -141.85 119.99 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 t -126.02 133.29 51.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.65 -16.54 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -95.65 -68.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.7 mt -40.54 155.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.5 p -89.77 -178.98 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.66 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.77 -48.0 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' VAL . 22.5 mm-40 -59.02 -66.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -39.7 -26.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' GLN . 18.7 t -84.38 -50.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.5 m -55.8 -27.49 51.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.5 t -74.53 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -61.2 -53.62 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.61 -35.91 1.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -58.36 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.39 -41.66 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.94 -41.0 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.53 -35.57 70.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -80.11 -31.36 39.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -51.48 -58.75 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -39.97 -66.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.3 t -51.24 -27.89 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.3 mt -93.93 33.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.21 156.93 27.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m 59.17 33.58 22.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.76 153.51 9.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.718 0.771 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.77 2.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.254 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 108' ' ' HIS . 0.8 OUTLIER -113.28 -31.42 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' MET . 79.0 t -34.36 -33.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.563 ' CD2' HD13 ' A' ' 22' ' ' ILE . 14.5 t-80 -83.86 -59.67 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.15 -50.79 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.6 -49.95 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.82 -53.45 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.8 -15.47 63.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -76.44 -63.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 115' ' ' GLN . 4.2 tp -53.42 -40.97 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.401 ' OE1' ' CA ' ' A' ' 115' ' ' GLN . 0.5 OUTLIER -64.29 -12.26 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -104.2 -45.06 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -95.44 17.25 14.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.97 -65.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -61.22 -45.8 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -44.76 -50.53 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.6 mt -57.0 -61.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 122' ' ' LEU . 10.3 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.811 0.339 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -55.03 -44.94 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLU . 5.6 mm-40 -51.97 -64.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' GLU . 5.4 tp10 -37.61 -58.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.01 -58.11 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -52.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -44.46 -44.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.89 -64.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.02 -41.47 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.71 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.9 t-105 -129.89 126.95 39.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 32' ' ' LEU . 9.6 tm-20 -144.78 140.86 28.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LEU . 90.4 t -124.98 97.19 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.475 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 31.8 mt -35.76 -70.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -154.18 172.73 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 m -90.17 123.38 33.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.2 t -114.65 111.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 48.2 p90 -130.56 148.33 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -132.45 102.12 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.489 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 2.1 pp -103.09 151.07 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -92.73 136.14 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.3 t -141.48 148.98 40.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -117.33 132.21 56.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.5 161.94 13.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.08 -11.4 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.59 -154.11 49.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.74 -37.26 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' ASP . 24.5 ttp -124.56 74.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' MET . 9.0 t0 36.32 45.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.26 112.53 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.23 145.71 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 82.5 mt -128.13 138.43 32.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.78 94.72 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.8 tp -103.65 143.33 32.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -118.63 117.19 28.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.23 129.81 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.8 t -123.64 102.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 64.8 m-85 -103.3 129.77 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -117.78 123.3 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.0 mt -103.23 96.54 8.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -164.11 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 m -91.14 -10.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 71' ' ' CYS . 7.7 m120 -110.45 42.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -136.27 149.03 66.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.7 0.762 . . . . 0.0 110.905 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.77 1.14 5.46 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.3 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.469 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 23.1 t -32.93 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 67' ' ' ASN . 84.6 m -138.63 -177.93 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.13 122.81 88.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.27 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.73 113.18 4.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 76' ' ' SER . 54.7 mt -114.07 136.48 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 75' ' ' ILE . 3.5 m -140.88 138.25 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.7 mm -127.8 119.88 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.77 120.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -125.85 140.86 52.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.67 -28.73 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -87.87 -56.64 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.0 mt -47.33 149.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.0 p -92.8 164.66 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -55.81 -34.98 65.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.88 -43.77 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' THR . 45.7 mt-30 -68.79 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.2 p -38.46 -35.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.9 t -75.03 -42.0 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLN . 95.9 m -53.75 -53.18 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.3 t -52.31 -56.55 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 92' ' ' GLU . 30.0 tttt -50.73 -62.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' LYS . 22.5 mm-40 -36.47 -42.82 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -64.29 -53.28 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.5 mm? -45.47 -49.46 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.08 -48.29 17.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -52.96 -52.44 58.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.96 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -40.05 -64.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' ALA . 14.4 mt-10 -36.36 -68.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t -46.99 -30.59 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' ALA . 16.9 mt -95.5 35.11 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.6 158.24 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 m 53.15 46.37 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.53 155.26 2.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 98.14 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.3 ptp -98.58 -35.28 10.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.503 HG13 ' CG ' ' A' ' 62' ' ' PHE . 82.4 t -34.99 -46.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.526 ' CE1' HD12 ' A' ' 112' ' ' LEU . 15.4 t-80 -73.24 -65.14 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -39.32 -57.26 1.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.23 -48.08 17.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.55 -35.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' A' ' 108' ' ' HIS . 44.6 mt -82.99 -42.15 17.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.491 ' CH2' HD11 ' A' ' 121' ' ' ILE . 65.3 t90 -58.55 -40.39 82.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.425 ' CD1' HD23 ' A' ' 118' ' ' LEU . 8.0 tp -73.81 -42.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -49.74 -29.82 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -102.85 -44.88 5.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -86.19 36.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 114' ' ' ILE . 0.6 OUTLIER -79.21 -58.02 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -65.8 -37.05 85.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -54.24 -43.73 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.491 HD11 ' CH2' ' A' ' 113' ' ' TRP . 88.1 mt -70.17 -45.06 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -58.08 -58.83 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -47.32 -40.48 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.12 -47.81 82.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.9 -48.3 71.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -44.76 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.47 -46.2 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.7 mt -49.32 -55.65 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.9 -39.16 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.61 -53.99 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.541 HD12 ' CD2' ' A' ' 108' ' ' HIS . 19.3 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CE3' HG23 ' A' ' 44' ' ' ILE . 68.2 t-105 -141.23 122.36 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -143.18 130.65 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' LEU . 75.8 t -120.77 98.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' VAL . 44.2 mt -38.03 -65.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -161.13 170.62 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.6 m -110.85 125.11 53.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.2 t -123.97 134.63 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 29.3 p90 -163.18 160.18 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.419 ' HD2' ' CD ' ' A' ' 59' ' ' GLU . 52.3 ttp180 -146.99 107.22 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.514 HG23 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -104.42 148.51 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -85.84 121.8 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -128.21 155.62 44.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -124.1 142.95 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.38 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.01 -7.41 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.74 176.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -86.37 -49.98 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . 29.2 mmm -85.96 51.95 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.6 m-20 35.27 34.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' MET . . . -126.17 122.72 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -38.95 120.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.2 mm -106.42 131.01 22.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.19 144.64 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.419 ' CD ' ' HD2' ' A' ' 43' ' ' ARG . 42.8 tt0 -114.12 109.88 19.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -103.72 131.6 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.3 t -127.68 102.84 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 67.6 m-85 -101.83 156.03 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -146.06 117.51 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 11.0 mt -102.6 96.43 7.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.77 -172.89 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.258 . . . . 0.0 112.339 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.51 -37.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -66.55 -44.68 81.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -39.84 149.95 0.27 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.701 0.762 . . . . 0.0 110.936 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.8 -20.32 10.85 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.301 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' PRO . 20.1 p -34.0 -45.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 39.3 t -100.82 147.85 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.16 128.42 93.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.47 69.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.304 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.85 108.31 2.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -111.22 134.36 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 t -134.12 132.14 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.4 mm -122.16 115.04 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -153.74 119.98 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.46 ' HB3' ' CG ' ' A' ' 82' ' ' LEU . 11.0 t -125.91 124.56 41.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -39.88 -27.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' SER . 5.6 mm100 -89.57 -49.73 6.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 79' ' ' SER . 27.1 mt -44.64 167.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.0 p -104.13 155.18 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -52.18 -32.26 35.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.0 -46.08 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' CYS . 52.4 mt-30 -64.44 -58.38 6.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' GLN . 30.7 p -37.85 -39.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.13 -54.16 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -42.32 -44.84 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.3 -63.44 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.95 -54.14 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -46.07 -43.12 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -64.45 -54.98 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 mp -44.23 -44.28 7.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.78 -54.11 50.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.59 -51.38 55.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ALA . 13.8 mm100 -60.66 -47.81 84.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -37.97 -52.9 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -43.05 -64.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 t -48.38 -32.1 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -98.62 36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 103' ' ' SER . 5.5 mt -68.95 178.37 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.462 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 16.8 t 34.38 41.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -165.31 160.46 14.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 90.14 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.408 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -91.84 -22.96 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 88.3 t -48.23 -57.6 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.541 ' CD2' HD12 ' A' ' 22' ' ' ILE . 16.2 t-80 -67.15 -62.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 108' ' ' HIS . 60.7 mm-40 -36.88 -53.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' A' ' 106' ' ' MET . 9.0 mt -53.63 -51.81 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.8 t -45.11 -46.02 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.4 HD22 ' NE2' ' A' ' 108' ' ' HIS . 3.3 mm? -76.99 -36.73 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.53 ' CH2' HD13 ' A' ' 121' ' ' ILE . 44.5 t90 -57.67 -53.75 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 115' ' ' GLN . 9.8 tp -64.98 -48.25 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.436 ' N ' ' CG2' ' A' ' 114' ' ' ILE . 43.5 mt-30 -37.25 -43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -93.85 -50.17 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -83.21 39.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 122' ' ' LEU . 18.5 tp -85.77 -38.25 18.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -85.08 -40.2 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -53.77 -42.31 68.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.53 HD13 ' CH2' ' A' ' 113' ' ' TRP . 74.7 mt -67.66 -63.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 118' ' ' LEU . 6.0 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.453 HG21 ' CE1' ' A' ' 68' ' ' TYR . 39.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.73 -45.63 91.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.95 -51.08 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.11 -43.43 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.84 -49.49 67.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 m -60.62 -61.84 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.2 t -44.79 -59.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.5 mt -49.39 -34.98 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.48 -35.34 52.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.44 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 37.0 t-105 -104.67 115.81 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -140.5 129.92 23.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 76.3 t -119.11 109.02 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.7 mt -51.96 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -151.74 145.33 24.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.5 m -104.29 122.59 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.3 t -127.01 122.75 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -138.34 159.58 41.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -145.24 123.75 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.428 ' C ' HD13 ' A' ' 44' ' ' ILE . 2.8 pp -124.75 148.92 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -92.3 134.74 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.9 t -136.23 151.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -117.59 119.98 36.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.42 159.88 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.1 tp10 -58.42 94.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.7 153.32 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -52.46 -31.59 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.8 ptm -120.0 37.55 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.12 54.19 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -145.81 108.01 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -34.5 128.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 48.8 mm -118.51 138.45 25.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.74 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.408 ' CD2' ' OE1' ' A' ' 115' ' ' GLN . 67.0 tp -99.58 130.15 45.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -118.1 114.29 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 ' CD2' HD13 ' A' ' 77' ' ' ILE . 9.8 mt -111.28 121.5 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -112.47 101.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.432 ' CE1' HG12 ' A' ' 75' ' ' ILE . 98.0 m-85 -93.49 138.23 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -120.23 122.94 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 mt -103.72 99.67 16.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -166.48 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.677 2.252 . . . . 0.0 112.37 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.01 -22.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 68' ' ' TYR . 75.0 m-20 -75.83 -45.42 35.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.565 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -35.79 144.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.79 3.51 4.42 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.326 -0.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.476 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.27 43.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 t -175.81 158.9 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 mt -87.74 129.82 49.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.487 ' CD ' ' SD ' ' A' ' 106' ' ' MET . 54.0 Cg_endo -69.75 131.39 21.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.32 111.01 3.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.523 ' CG2' ' CD1' ' A' ' 77' ' ' ILE . 40.8 mt -106.71 125.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -126.88 107.04 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.523 ' CD1' ' CG2' ' A' ' 75' ' ' ILE . 1.5 mp -96.24 113.03 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -134.87 119.94 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -126.19 144.51 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -86.49 -56.07 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.1 mt -57.14 154.59 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.4 p -103.96 169.21 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -52.28 -48.8 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -69.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -42.59 -59.08 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.0 m -44.79 -60.23 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 80.5 t -38.3 -48.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -51.86 -50.36 61.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.15 -63.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -42.39 -56.8 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.54 -53.46 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -50.87 -46.09 60.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.17 -60.5 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.3 mm? -46.67 -43.92 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.72 -44.43 77.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.33 -42.52 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -38.15 -59.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -38.74 -58.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.0 p -55.71 -32.49 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.7 mt -95.64 35.4 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' GLU . 10.0 mt -70.47 178.44 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p 37.6 32.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' LEU . 15.6 mt-10 -157.24 161.43 29.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.657 0.742 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 87.2 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.487 ' SD ' ' CD ' ' A' ' 73' ' ' PRO . 16.6 ptp -81.79 -47.27 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 106' ' ' MET . 53.6 t -33.77 -52.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' GLU . 12.3 t-80 -64.61 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.8 mm-40 -37.46 -62.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' GLU . 56.5 mt -35.55 -47.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.7 t -54.24 -58.38 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.11 -25.54 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -69.59 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 115' ' ' GLN . 5.1 tp -61.12 -51.77 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 114' ' ' ILE . 5.9 mm100 -34.83 -38.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -96.68 -45.97 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -90.32 44.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.1 tp -89.41 -38.09 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -67.63 -39.64 84.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -60.46 -32.13 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.3 mm -50.09 -50.91 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 122' ' ' LEU . 3.6 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -75.45 -53.21 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 8.6 pt-20 -47.02 -45.85 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 7.4 tp10 -57.14 -67.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -44.36 -39.47 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -62.84 -48.91 77.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.0 t -65.73 -50.13 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 mt -44.88 -52.47 8.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.02 -28.6 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.82 -52.46 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.441 HG12 ' CD2' ' A' ' 108' ' ' HIS . 1.7 mp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.421 ' CZ2' ' CG2' ' A' ' 31' ' ' VAL . 68.0 t-105 -134.55 111.52 10.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -133.78 101.21 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 53.9 t -78.89 93.7 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.6 mt -44.1 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.1 p -139.23 162.6 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.403 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 51.1 mtm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.3 m -91.15 123.22 34.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.161 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.1 122.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -145.13 157.4 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.467 ' CG ' HG22 ' A' ' 61' ' ' VAL . 4.9 tmm_? -142.41 131.71 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 ' CG2' ' HA ' ' A' ' 29' ' ' TRP . 2.7 pp -127.85 151.1 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.08 128.52 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.436 ' CG2' HD13 ' A' ' 60' ' ' LEU . 13.8 t -140.92 148.77 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 143.0 49.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 118' ' ' LEU . . . -104.74 176.15 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.76 -8.69 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 53.39 173.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -85.07 -47.49 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.23 41.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 45.32 42.38 7.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.97 163.72 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.06 17.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 89.6 mt -90.09 138.71 27.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 54.0 Cg_endo -69.76 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.5 tp -106.59 142.96 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -117.77 116.54 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 4.0 mt -114.96 113.22 23.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.467 HG22 ' CG ' ' A' ' 43' ' ' ARG . 67.7 t -112.49 103.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 92.8 m-85 -98.38 125.62 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -106.61 114.96 29.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.7 mt -101.6 97.94 8.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.03 -9.78 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 11.0 m-20 -93.43 -32.09 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -51.71 149.86 7.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.711 0.767 . . . . 0.0 110.913 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.82 -16.36 12.33 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 0.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.4 t -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.69 153.42 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.2 mt -74.13 134.8 77.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 171.75 13.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.49 88.35 1.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mt -83.54 135.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -138.36 142.13 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 39.1 mm -128.47 129.8 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -157.04 119.85 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.9 t -126.16 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.94 -31.72 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -85.12 -58.08 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.3 mt -49.73 147.22 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.7 p -93.06 178.13 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -61.48 -28.79 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.75 -44.74 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -66.88 -57.72 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.2 p -43.71 -33.47 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.9 t -75.56 -48.28 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -49.66 -51.49 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.1 t -54.61 -54.95 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -50.73 -58.5 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -40.18 -47.01 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.04 -55.65 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -47.14 -41.86 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.48 -51.04 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.62 -52.7 37.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -56.43 -49.83 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -41.07 -62.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 98' ' ' ALA . 32.7 mt-10 -36.12 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 m -54.09 -29.29 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 98' ' ' ALA . 13.3 mt -92.61 36.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.0 156.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 t 57.71 42.92 22.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -170.42 152.86 4.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 89.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 107' ' ' VAL . 4.4 ptp -88.16 -38.97 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.5 HG11 ' CD2' ' A' ' 62' ' ' PHE . 85.6 t -31.02 -61.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.441 ' CD2' HG12 ' A' ' 22' ' ' ILE . 15.6 t-80 -59.4 -43.65 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' MET . 16.9 mm-40 -63.23 -67.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 109' ' ' GLU . 25.3 mt -33.93 -46.48 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.466 HG12 ' NE2' ' A' ' 115' ' ' GLN . 96.9 t -52.84 -52.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.33 -36.79 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -54.33 -56.39 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.428 ' CD1' HG13 ' A' ' 121' ' ' ILE . 6.9 tp -68.92 -37.75 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.466 ' NE2' HG12 ' A' ' 111' ' ' VAL . 34.8 mt-30 -46.35 -38.43 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -104.81 -50.67 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -77.42 46.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 48' ' ' ALA . 7.0 tt -87.55 -48.66 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -29.26 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.48 -36.23 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.428 HG13 ' CD1' ' A' ' 114' ' ' ILE . 29.6 mm -49.7 -55.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.894 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.332 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -82.83 -44.26 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.22 -55.28 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CD ' HD12 ' A' ' 19' ' ' LEU . 6.5 tm-20 -42.09 -47.87 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 mt -61.87 -47.18 86.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -60.4 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -41.98 -46.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 ' CD ' ' A' ' 15' ' ' GLU . 10.1 mt -51.25 -41.43 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.01 61.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.51 -36.53 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.547 HD11 ' CD2' ' A' ' 108' ' ' HIS . 98.7 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -107.53 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -144.28 122.2 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 32' ' ' LEU . 89.2 t -103.71 105.56 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' VAL . 44.3 mt -35.89 -66.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -148.71 164.11 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.4 ' HD2' ' CG1' ' A' ' 31' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -110.66 129.97 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.1 t -125.41 125.62 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 53.9 p90 -136.99 153.59 50.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -141.46 116.37 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 44' ' ' ILE . 2.6 pp -117.51 148.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -86.0 124.98 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.0 t -129.7 159.74 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -130.94 132.42 45.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.78 -176.97 6.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' GLY . 67.0 mt-10 -84.07 40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 36.13 -149.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -109.03 -54.73 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptm -123.89 65.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 70.48 43.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.44 173.8 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.88 140.25 49.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 77.2 mt -132.66 138.42 31.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.76 122.28 8.96 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -132.53 129.68 39.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.13 107.94 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.98 112.94 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.3 t -107.03 108.19 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 70.8 m-85 -102.36 139.41 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 1.7 t-160 -125.48 135.05 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 13.0 mt -116.38 96.45 47.85 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.8 -21.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' CYS . 74.3 m-20 -106.17 48.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -135.0 149.75 71.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.646 0.736 . . . . 0.0 110.945 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 0.68 5.67 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -32.68 -36.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 67' ' ' ASN . 12.1 m -131.25 174.83 9.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 3.9 mm? -69.2 129.61 91.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -166.97 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -108.62 85.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.3 mt -81.13 135.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 t -139.21 143.89 38.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 9.0 mm -135.18 120.16 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -154.83 120.04 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -126.08 153.36 44.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.7 0.08 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.66 -36.66 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 163.37 27.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.5 p -98.54 -179.28 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -66.58 -57.43 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.0 -59.34 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.4 OUTLIER -49.28 -54.88 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -42.02 -50.04 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.19 -53.73 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.0 m -48.52 -48.18 38.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.0 -46.48 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -62.35 -56.03 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -43.61 -47.35 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -57.73 -58.71 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.6 mt -45.09 -41.18 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.37 -41.65 89.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -60.99 -54.02 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -62.05 -34.79 76.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . . . -49.81 -59.23 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -38.47 -68.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.6 t -47.03 -30.41 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ALA . 14.9 mt -93.77 29.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.53 170.62 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m 41.8 26.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -148.61 160.48 36.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 88.05 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 107' ' ' VAL . 14.1 ptp -85.29 -43.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 106' ' ' MET . 58.4 t -34.07 -43.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.547 ' CD2' HD11 ' A' ' 22' ' ' ILE . 11.8 t-160 -79.03 -69.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -37.99 -57.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' TRP . 41.0 mt -41.19 -63.59 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.6 t -40.06 -51.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.15 -31.07 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' LEU . 76.0 t90 -68.0 -60.64 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 tp -60.48 -28.77 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -68.2 -32.23 72.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -103.01 -15.02 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.445 ' ND2' ' CD1' ' A' ' 113' ' ' TRP . 66.6 m-80 -112.27 24.2 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 121' ' ' ILE . 6.2 tp -64.76 -71.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -27.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -69.83 -41.6 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 118' ' ' LEU . 90.7 mt -74.98 -42.53 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 68' ' ' TYR . 84.7 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.801 0.334 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.61 -54.15 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -45.75 -50.14 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -52.81 -54.68 30.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.63 -47.67 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -57.02 -55.66 31.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.8 t -53.86 -54.25 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD23 ' CD2' ' A' ' 108' ' ' HIS . 31.5 mt -54.46 -49.78 69.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.19 -23.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -69.06 -61.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.45 ' CZ2' ' CG2' ' A' ' 31' ' ' VAL . 44.5 t-105 -102.17 121.01 41.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -144.45 123.14 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 73.3 t -118.42 104.24 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.35 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m -152.01 136.08 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -99.92 126.38 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.48 144.55 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 18.5 p90 -163.76 151.47 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.06 105.08 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 1.9 pp -101.25 152.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -98.2 132.13 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 t -137.28 151.95 49.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -128.05 132.98 49.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.453 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -97.96 -175.07 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLY . 20.0 mt-10 -83.91 35.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 34.43 -134.8 0.36 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -127.66 -37.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.5 ptm -115.49 40.44 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 69.82 37.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -128.65 104.56 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.82 132.0 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 41.9 mm -117.78 138.65 25.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 129.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -136.94 156.39 48.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -136.43 116.99 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 7.3 mt -118.96 119.98 35.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.75 102.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 75' ' ' ILE . 94.6 m-85 -95.16 122.42 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.49 118.74 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.59 96.55 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -166.43 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.348 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 m -87.64 -31.65 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.48 -43.22 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.37 149.86 0.29 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.904 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.18 10.36 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.387 -0.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -34.32 -45.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.6 m -106.61 174.59 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 137.22 27.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 136.96 34.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -72.02 107.78 2.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 62' ' ' PHE . 24.9 mt -101.16 134.27 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 75' ' ' ILE . 18.1 m -129.01 115.14 17.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.512 ' CD1' ' CG2' ' A' ' 75' ' ' ILE . 1.4 mp -105.19 112.85 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -145.17 119.9 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -126.03 146.22 49.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -65.7 -19.19 65.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.79 -52.09 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.92 159.68 25.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.5 p -98.43 166.23 11.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -51.03 -50.0 59.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.68 -67.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -43.63 -42.17 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -57.32 -53.65 55.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.6 t -47.13 -50.02 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.2 m -51.97 -62.13 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.42 HG12 ' CD1' ' A' ' 94' ' ' LEU . 41.2 t -38.55 -64.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -43.64 -57.42 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -42.88 -51.2 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -57.94 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' CD1' HG12 ' A' ' 90' ' ' VAL . 3.3 mp -48.12 -55.68 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.17 -48.98 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.47 -45.16 62.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -68.16 -44.33 76.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -39.64 -58.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -37.58 -63.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 t -50.9 -36.56 38.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 9.0 mt -93.76 39.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.22 172.59 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 m 41.66 30.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -153.92 160.56 30.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 99.78 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' VAL . 19.1 ptp -101.32 -40.99 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' MET . 59.6 t -33.84 -54.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.475 ' CD2' HD23 ' A' ' 19' ' ' LEU . 11.9 t-160 -65.9 -57.69 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -50.12 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . 18.5 mt -34.49 -51.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -53.34 -44.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' GLU . 33.1 mt -78.15 -13.92 59.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -85.5 -45.27 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.9 tp -71.68 -25.26 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.97 -34.41 74.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -104.7 -39.8 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.0 36.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 48' ' ' ALA . 5.1 tt -82.49 -57.57 3.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 28.3 ptt180 -59.1 -41.29 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 119' ' ' ARG . 8.0 t-80 -51.34 -62.83 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' HIS . 74.3 mt -36.75 -44.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.761 0.315 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -72.9 -60.03 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -41.69 -41.16 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.66 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.519 ' CD2' ' CD2' ' A' ' 42' ' ' PHE . 83.0 mt -46.09 -45.68 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 t -66.89 -62.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -43.49 -43.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.12 -47.2 65.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -24.51 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.66 -46.58 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.512 HD12 ' CE1' ' A' ' 108' ' ' HIS . 40.7 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.838 0.352 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.592 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 16.9 t-105 -123.16 122.39 38.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -142.27 142.03 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' LEU . 53.8 t -119.81 98.03 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' VAL . 53.2 mt -36.25 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -160.83 146.44 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -144.75 123.67 12.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 111.183 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.6 t -118.93 116.83 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 26.1 p90 -138.23 152.15 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -137.06 127.7 26.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.592 ' CG2' ' CE3' ' A' ' 29' ' ' TRP . 2.6 pp -123.47 143.96 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -92.1 127.94 37.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.9 t -135.28 160.07 39.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -128.49 126.73 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.403 ' CB ' HD23 ' A' ' 118' ' ' LEU . . . -87.44 -176.94 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.38 4.34 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.3 -142.69 44.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.93 -32.81 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' ASP . 5.0 ptm -131.88 83.02 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.4 t70 35.37 43.85 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -132.3 160.82 35.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.43 136.39 41.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 37.6 mm -117.45 138.18 24.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.588 0.708 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 tp -98.08 125.23 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -108.58 101.25 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 77' ' ' ILE . 10.0 mt -99.61 105.02 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.92 103.66 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 60' ' ' LEU . 66.3 m-85 -100.77 127.9 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -116.22 120.02 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.5 HD23 ' CE2' ' A' ' 68' ' ' TYR . 2.6 mt -103.56 96.45 8.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -168.2 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -63.29 -69.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' VAL . 5.2 m120 -33.85 -53.37 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.544 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 3.2 t80 -34.75 142.57 0.24 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.79 -11.3 11.91 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.375 -0.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' PRO . 28.6 m -34.12 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.4 p -110.56 165.55 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.48 143.01 78.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 138.46 37.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.32 90.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.26 134.51 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.0 m -138.14 117.94 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.466 ' CD1' HD23 ' A' ' 60' ' ' LEU . 21.8 mm -108.58 118.3 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -149.74 122.81 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 t -124.42 135.91 53.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.29 -10.29 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -104.91 -56.54 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 mt -57.7 163.58 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 48.7 p -97.98 175.4 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.3 -62.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.35 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -48.81 -25.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 m -88.68 -66.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -38.92 -33.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.0 m -63.87 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -38.84 -47.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 92' ' ' GLU . 68.1 tttt -59.24 -61.03 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 18.2 mt-10 -34.83 -45.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -67.39 -54.45 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 mt -44.64 -41.13 6.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.3 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -41.12 -52.05 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.89 -55.08 39.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.425 ' CB ' ' SD ' ' A' ' 106' ' ' MET . . . -36.92 -58.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' LEU . 20.2 mt-10 -42.21 -65.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 t -47.04 -28.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.46 30.22 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 99' ' ' GLU . 9.4 mt -65.19 159.24 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.8 m 51.59 26.85 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -153.03 160.68 30.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.25 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.234 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.425 ' SD ' ' CB ' ' A' ' 98' ' ' ALA . 6.5 ptp -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.3 t -41.51 -50.42 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.512 ' CE1' HD12 ' A' ' 22' ' ' ILE . 10.2 t-160 -67.42 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 110' ' ' LEU . 28.0 mt-10 -41.97 -63.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLU . 16.0 mt -36.36 -58.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.438 ' O ' ' CG ' ' A' ' 115' ' ' GLN . 37.8 t -43.31 -49.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.82 -33.56 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 118' ' ' LEU . 6.4 tp -61.65 -49.87 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 111' ' ' VAL . 4.0 mm100 -40.11 -40.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -88.18 -35.6 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -103.74 40.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' ILE . 45.7 tp -79.67 -49.52 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -44.6 -52.8 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.8 mt -65.81 -46.71 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.758 0.313 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -53.45 -50.81 64.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . 16.7 mm-40 -48.98 -65.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' GLU . 21.7 tt0 -35.81 -50.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.91 -43.59 98.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' GLU . 15.3 t -64.38 -52.16 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -48.22 -57.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.3 mt -48.07 -40.45 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.11 -34.73 4.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.96 -58.42 4.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 1.4 mp0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.554 ' CE3' HG23 ' A' ' 44' ' ' ILE . 71.7 t-105 -99.72 118.97 37.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -144.39 124.07 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.87 110.01 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.63 -61.58 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -152.27 143.16 23.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -124.94 124.8 42.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.87 127.62 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 40.5 p90 -148.92 149.4 31.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.42 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 20.4 ttt180 -131.07 102.79 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.554 HG23 ' CE3' ' A' ' 29' ' ' TRP . 2.0 pp -106.35 150.85 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.489 ' CD2' ' OE2' ' A' ' 59' ' ' GLU . 38.8 m170 -100.44 144.7 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 t -140.98 154.59 46.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.51 136.12 54.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.13 169.24 8.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.74 -14.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 53.25 -126.92 35.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 28.1 m-85 -147.04 116.39 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 mtm 74.97 45.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.72 28.8 18.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.79 100.04 9.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.26 127.17 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.2 mt -113.76 131.75 22.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.79 18.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -116.82 162.15 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 45' ' ' HIS . 3.6 tp10 -136.1 106.78 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.04 118.15 31.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' CG2' ' HG3' ' A' ' 43' ' ' ARG . 97.6 t -112.65 103.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 95.9 m-85 -98.52 119.9 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -110.75 115.42 29.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.9 mt -94.67 105.09 16.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.0 m -91.07 -24.73 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' TYR . 5.5 m120 -80.66 -41.79 23.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.615 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -35.67 148.51 0.14 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.79 3.09 4.58 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.482 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 49.0 m -76.42 45.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 47.9 t -176.05 154.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.04 128.46 65.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 151.84 69.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.26 82.04 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 76' ' ' SER . 26.5 mt -78.3 138.65 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 111.094 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.451 ' N ' HG21 ' A' ' 75' ' ' ILE . 2.2 t -142.2 134.76 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.6 mm -126.6 123.08 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -157.09 121.4 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.5 t -124.91 149.94 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.08 -27.15 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -87.91 -61.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 mt -55.47 146.69 19.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.4 p -82.12 169.57 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -56.93 -65.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.55 -36.54 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.59 -65.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 p -48.7 -31.61 7.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.15 -45.15 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.5 m -60.82 -40.98 94.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.3 t -55.57 -56.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -53.46 -56.64 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -40.66 -42.45 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -63.14 -49.6 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.8 mt -54.68 -42.41 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.39 -55.16 20.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.92 -54.89 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -55.15 -47.67 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.13 -59.31 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -46.43 -64.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -52.21 -35.76 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.403 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 10.1 mt -91.81 38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.84 162.35 28.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 t 56.65 39.82 29.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.5 pt-20 -166.62 155.47 9.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.88 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.437 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -85.02 -31.67 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 106' ' ' MET . 96.3 t -35.76 -51.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -71.02 -54.31 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' LEU . 67.3 mm-40 -47.0 -66.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.435 HD13 ' CG ' ' A' ' 106' ' ' MET . 13.7 mt -35.66 -63.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 110' ' ' LEU . 86.7 t -36.7 -57.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.8 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.45 ' CD2' ' OD1' ' A' ' 117' ' ' ASN . 87.0 t90 -46.42 -67.93 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.467 ' CD1' HD11 ' A' ' 121' ' ' ILE . 4.9 tp -53.53 -41.8 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -54.52 -27.79 40.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -94.82 -51.26 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.45 ' OD1' ' CD2' ' A' ' 113' ' ' TRP . 0.5 OUTLIER -89.28 35.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.95 -67.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 17.5 ptt180 -59.11 -46.92 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 120' ' ' HIS . 2.3 t60 -42.28 -46.84 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 114' ' ' ILE . 78.8 mt -64.69 -64.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.753 0.311 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 20.5 mt-10 -61.16 -60.98 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -42.5 -48.97 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.447 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 95.3 mt -58.57 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -43.81 -56.14 4.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -47.82 -56.48 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.21 -54.17 14.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.86 -28.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 -47.03 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.485 HD13 ' CD2' ' A' ' 108' ' ' HIS . 50.2 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 26.9 t-105 -110.56 111.53 22.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -126.47 140.5 52.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 p -127.74 106.09 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.56 -66.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.0 t -145.29 160.5 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.816 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.0 m -145.71 126.47 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -126.98 133.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.447 ' CE2' ' CD2' ' A' ' 16' ' ' LEU . 13.4 p90 -149.26 147.58 28.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -124.91 116.59 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.57 ' CG2' ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -111.39 148.37 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 60' ' ' LEU . 7.3 t -133.78 157.71 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -134.38 135.24 42.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.469 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -99.51 171.41 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.94 -9.84 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.43 -148.29 50.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -122.33 -54.02 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -105.39 74.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' MET . 0.1 OUTLIER 35.11 50.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.433 ' CB ' ' SD ' ' A' ' 52' ' ' MET . . . -144.69 119.37 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.1 120.49 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.3 mt -91.76 131.75 34.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 93.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -100.9 142.65 32.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -116.1 120.36 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 46' ' ' THR . 3.8 mt -115.75 131.27 56.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.28 107.85 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 75' ' ' ILE . 91.2 m-85 -98.78 138.52 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -119.66 131.76 55.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.1 mt -106.32 96.75 14.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -164.69 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.3 m -94.95 -13.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.45 ' CB ' ' HB2' ' A' ' 71' ' ' CYS . 88.0 m-20 -85.09 -43.26 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.96 150.14 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.701 0.763 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.75 1.08 5.47 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.344 -0.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.478 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.3 t -78.79 44.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 67' ' ' ASN . 5.7 t -175.27 170.8 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -93.92 131.24 32.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.4 50.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.32 92.63 0.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 62' ' ' PHE . 92.1 mt -89.38 138.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -130.86 109.61 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.04 124.19 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -155.48 119.94 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.9 t -126.06 124.62 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' GLU . 8.8 tm-20 -42.83 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 79' ' ' SER . 7.3 mm100 -87.89 -57.32 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.21 175.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -117.67 178.35 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -59.65 -60.32 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.5 -56.69 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -48.49 -53.22 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' VAL . 33.3 m -51.87 -59.28 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' CYS . 88.5 t -37.47 -44.45 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -58.61 -50.34 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.06 -55.67 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HE2' ' CD2' ' A' ' 95' ' ' LEU . 12.4 tmtt? -48.94 -51.88 27.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.462 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 51.8 mm-40 -50.19 -44.8 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -57.85 -60.9 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.9 mp -41.47 -44.62 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.463 ' CD2' ' HE2' ' A' ' 91' ' ' LYS . 4.3 mm? -60.5 -52.42 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -48.06 -44.17 31.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' ALA . 7.6 mm100 -65.49 -53.68 39.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -35.69 -55.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -39.4 -59.29 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.3 mt -98.86 36.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.88 174.45 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t 41.98 27.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -148.34 161.39 34.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 84.98 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 107' ' ' VAL . 19.9 ptp -81.59 -39.17 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 106' ' ' MET . 42.3 t -33.88 -59.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.485 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.7 t-160 -64.84 -67.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.6 mt-10 -36.73 -64.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.8 mt -38.4 -63.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -36.65 -60.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.418 HD11 ' NE2' ' A' ' 108' ' ' HIS . 45.9 mt -58.05 -45.55 86.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -49.84 -59.06 4.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.401 ' CD1' HD11 ' A' ' 121' ' ' ILE . 5.6 tp -67.08 -37.59 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -48.47 -33.07 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -104.53 -36.39 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -95.12 45.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 48' ' ' ALA . 10.4 tt -87.74 -55.24 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.56 -32.0 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -59.19 -35.39 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 114' ' ' ILE . 77.4 mt -66.57 -50.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.776 0.322 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -60.13 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -46.84 -46.2 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -52.36 -58.56 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -51.38 -45.57 62.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t -61.09 -61.01 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -48.0 -51.12 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.0 mt -54.11 -56.91 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.85 -33.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.9 -52.72 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -127.25 105.71 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -130.14 140.47 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -130.08 108.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.6 mt -51.82 -61.05 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.0 t -145.98 141.44 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -149.15 123.89 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.1 t -131.69 145.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -163.41 162.52 24.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -139.14 107.19 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 2.0 pp -109.31 152.16 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -88.44 128.23 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -130.79 153.93 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -123.69 161.89 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.85 167.35 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLY . 10.1 mm-40 -62.75 85.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.33 151.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.35 -37.32 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 ptp -114.55 37.35 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.04 54.66 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.86 116.02 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 112.67 0.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 59.2 mt -102.38 132.47 21.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.18 15.67 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.2 mt -130.09 151.38 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -117.77 107.86 14.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD22 ' CD1' ' A' ' 77' ' ' ILE . 6.0 mt -114.91 115.02 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 80.5 t -112.15 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -92.97 120.6 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.55 114.9 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 38.2 mt -95.5 104.48 15.95 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.1 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -87.62 -29.86 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 68' ' ' TYR . 40.2 m-80 -71.17 -44.55 65.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -33.18 146.32 0.1 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.713 0.768 . . . . 0.0 110.938 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.74 2.12 4.98 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.462 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.5 m -80.0 43.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 46.3 t -175.19 151.49 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.59 124.48 79.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.29 44.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.55 93.59 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.429 HG23 ' CD2' ' A' ' 94' ' ' LEU . 59.7 mt -91.11 142.56 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -130.86 146.13 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.402 ' CD1' HD22 ' A' ' 60' ' ' LEU . 30.1 mm -136.49 116.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.22 119.9 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -126.12 140.0 52.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.27 -33.34 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -82.08 -57.1 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.6 mt -43.52 164.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -107.06 155.98 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -49.38 -38.67 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.06 -45.18 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' VAL . 30.6 mt-30 -68.26 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' GLN . 20.5 p -36.17 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 86' ' ' GLN . 95.4 t -79.24 -54.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -47.1 -41.36 17.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 114' ' ' ILE . 61.2 t -62.21 -54.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 11.1 tmtt? -54.04 -47.08 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.405 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 5.3 mm-40 -49.52 -47.01 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -59.48 -56.87 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.429 ' CD2' HG23 ' A' ' 75' ' ' ILE . 4.4 mp -39.12 -54.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 95' ' ' LEU . 4.6 mm? -52.24 -59.14 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -41.87 -36.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm100 -72.58 -50.05 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -35.19 -56.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -38.41 -64.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -51.45 -39.31 57.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -90.65 40.23 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.88 175.98 8.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.0 t 43.91 26.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -153.1 161.45 29.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.42 ' C ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -90.78 -31.0 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 49.1 t -41.84 -50.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.54 ' CE1' HD11 ' A' ' 112' ' ' LEU . 18.0 t-80 -74.01 -63.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 110' ' ' LEU . 26.4 mm-40 -41.23 -62.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 106' ' ' MET . 19.1 mt -35.65 -54.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.9 t -47.41 -55.2 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.54 HD11 ' CE1' ' A' ' 108' ' ' HIS . 69.5 mt -61.73 -45.88 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -53.42 -52.79 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 115' ' ' GLN . 8.8 tp -69.07 -40.19 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.429 ' N ' HG21 ' A' ' 114' ' ' ILE . 53.5 mt-30 -46.15 -39.23 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -97.21 -41.64 8.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -88.83 41.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.8 tp -86.51 -41.84 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.3 ptt-85 -66.02 -41.34 91.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -51.0 -57.34 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.426 HD11 ' CD1' ' A' ' 114' ' ' ILE . 75.1 mt -57.93 -39.43 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.6 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -63.0 -50.87 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -47.37 -57.23 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' SER . 30.0 tt0 -55.64 -60.07 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' GLU . 46.4 mt -34.19 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 32.9 t -85.62 -54.52 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.427 ' CG2' ' N ' ' A' ' 19' ' ' LEU . 1.2 m -51.05 -38.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 12.7 mt -66.67 -58.01 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.05 -31.33 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.2 79.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.512 HD11 ' CD2' ' A' ' 108' ' ' HIS . 18.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 72.0 t-105 -98.43 110.44 23.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -135.77 124.18 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 p -105.64 97.13 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -44.39 -54.15 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -152.78 132.85 13.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -119.47 115.49 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -117.4 138.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.7 147.61 26.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.48 ' CG ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.84 119.74 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.425 ' CG2' ' HA ' ' A' ' 29' ' ' TRP . 2.9 pp -115.75 152.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -92.57 136.57 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.441 HG23 ' CD1' ' A' ' 60' ' ' LEU . 14.6 t -137.2 145.36 43.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -120.33 145.39 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . . . -105.87 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.94 -10.88 60.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.54 131.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -52.48 -47.44 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.3 ptm -102.29 40.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t0 58.74 46.7 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.67 110.03 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.3 114.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.419 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 23.2 mm -94.57 136.99 22.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.73 96.8 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 48' ' ' ALA . 9.7 mt -103.09 163.47 12.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -137.9 126.11 23.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.454 HD22 ' CZ ' ' A' ' 62' ' ' PHE . 6.0 mt -128.5 123.08 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.48 HG22 ' CG ' ' A' ' 43' ' ' ARG . 89.7 t -119.86 109.12 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.533 ' CD2' HG11 ' A' ' 107' ' ' VAL . 95.6 m-85 -104.51 140.55 37.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -124.8 123.09 39.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.7 mt -105.35 96.6 11.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 67' ' ' ASN . 18.6 m -87.41 -29.53 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -75.57 -40.99 55.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -41.88 145.77 0.68 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.94 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.77 -13.73 12.44 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.376 -0.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' PRO . 5.6 t -34.17 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.64 173.47 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.29 131.33 38.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 140.12 41.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.84 112.48 4.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.488 HG12 ' CD1' ' A' ' 62' ' ' PHE . 55.0 mt -110.61 141.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -137.73 138.08 38.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.9 mm -129.0 121.91 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.95 119.76 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.3 t -126.21 140.69 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.52 -26.58 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -89.98 -61.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.3 mt -38.92 152.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 p -102.84 155.45 18.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -42.74 -45.59 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.1 97.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' VAL . 92.0 mt-30 -72.55 -64.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 86' ' ' GLN . 12.8 p -35.98 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 86' ' ' GLN . 95.0 t -80.55 -51.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -49.71 -47.96 50.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.69 -54.14 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -56.58 -58.62 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 18.6 mm-40 -40.13 -55.66 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -52.06 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.86 -49.51 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.46 -50.77 70.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -52.69 -47.83 66.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm-40 -62.6 -48.72 78.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -36.53 -59.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ALA . 8.7 mt-10 -36.73 -65.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.6 m -48.02 -31.54 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' ALA . 10.6 mt -96.03 36.23 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.401 ' O ' ' OE2' ' A' ' 104' ' ' GLU . 8.6 mt -70.65 159.79 33.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m 57.44 44.96 20.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.9 pt-20 -173.48 156.76 2.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 87.33 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.459 ' SD ' ' CB ' ' A' ' 98' ' ' ALA . 22.5 ptp -80.08 -40.89 26.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.533 HG11 ' CD2' ' A' ' 62' ' ' PHE . 59.4 t -33.61 -55.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.512 ' CD2' HD11 ' A' ' 22' ' ' ILE . 14.0 t-160 -64.4 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -39.41 -59.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.4 mt -44.84 -58.52 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -39.81 -44.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.66 -43.44 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.451 ' CH2' HD12 ' A' ' 121' ' ' ILE . 45.9 t90 -54.99 -52.68 62.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.452 HD11 ' CD1' ' A' ' 121' ' ' ILE . 7.5 tp -66.66 -44.02 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -45.19 -44.42 10.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.12 -46.16 9.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.48 38.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -39.86 67.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -84.43 -41.18 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -51.41 -33.82 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' A' ' 114' ' ' ILE . 96.5 mt -75.09 -48.73 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 122' ' ' LEU . 10.0 mp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.808 0.337 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -78.94 -55.07 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -47.26 -31.16 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -74.35 -47.62 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.63 -28.78 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -87.2 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -40.63 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.9 mt -83.12 -48.85 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.5 -26.28 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -57.45 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 53.2 t-105 -105.52 104.12 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -126.07 106.96 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 42' ' ' PHE . 4.1 p -104.96 103.09 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -40.67 -57.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -156.36 152.2 27.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.4 m -124.57 125.33 44.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.77 129.52 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.453 ' HB3' ' CG2' ' A' ' 31' ' ' VAL . 5.8 p90 -147.4 160.48 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -139.74 132.08 28.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.431 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 2.3 pp -129.3 146.21 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -89.48 123.83 33.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -129.33 152.57 48.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -127.08 132.74 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 58' ' ' LEU . . . -100.85 177.71 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.34 -9.8 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 51.97 -126.54 30.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 27.3 m-85 -148.99 116.84 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 ttm 73.12 52.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 53.39 29.75 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.59 101.54 9.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.38 135.72 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 67.5 mt -118.22 132.39 23.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 116.91 4.78 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.409 ' CD1' ' HB1' ' A' ' 48' ' ' ALA . 25.6 mt -117.52 132.48 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -110.8 100.63 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mt -102.64 118.46 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -113.5 105.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -96.78 126.93 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -117.21 115.57 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.07 105.78 19.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.6 m -97.71 -9.9 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -94.54 -37.43 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -41.92 149.81 0.4 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.71 -14.91 12.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.339 -0.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' PRO . 14.6 t -34.4 -46.62 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 t -106.71 167.36 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.56 138.08 36.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.66 65.42 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.67 106.32 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.409 ' HB ' ' CD2' ' A' ' 95' ' ' LEU . 31.8 mt -104.47 141.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 t -142.85 121.37 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.69 118.07 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -148.55 120.0 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 t -125.87 148.62 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.9 -26.57 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -87.71 -58.17 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.7 140.12 19.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.4 p -84.12 156.44 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -43.07 -41.2 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.42 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -74.98 -64.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 p -39.92 -29.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 86' ' ' GLN . 41.6 t -75.27 -52.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.4 m -47.09 -57.72 4.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -46.49 -65.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 12.6 tmtt? -45.25 -50.34 11.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.444 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 13.3 mt-10 -51.35 -33.96 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -73.61 -54.49 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.64 -52.4 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.409 ' CD2' ' HB ' ' A' ' 75' ' ' ILE . 4.4 mm? -51.59 -52.42 47.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -50.23 -44.2 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -62.83 -51.15 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.66 -58.93 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 t -64.7 -30.25 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.7 34.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.12 176.22 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 44.17 31.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -162.26 160.47 21.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 105.96 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -100.17 -24.61 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.6 t -44.55 -46.39 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.47 ' CE1' HD11 ' A' ' 112' ' ' LEU . 9.5 t-80 -76.42 -65.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -37.9 -53.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.1 mt -48.51 -46.36 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.3 t -58.83 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' A' ' 108' ' ' HIS . 51.6 mt -53.01 -24.65 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.444 ' O ' ' CG ' ' A' ' 117' ' ' ASN . 46.6 t90 -69.77 -67.54 0.48 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 115' ' ' GLN . 3.2 tp -60.89 -51.72 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.426 ' N ' ' CG2' ' A' ' 114' ' ' ILE . 16.4 mm100 -47.42 -24.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -98.1 -38.55 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 113' ' ' TRP . 0.9 OUTLIER -119.59 55.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.1 tt -82.52 -43.98 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -55.94 -42.89 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -45.56 -57.55 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.55 -43.72 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 68' ' ' TYR . 10.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -88.02 -55.69 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.65 -32.29 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -47.38 81.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.21 -42.73 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.1 p -75.05 -63.45 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -44.62 -55.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.9 mt -49.93 -33.55 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.02 -29.41 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.38 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.476 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 33.3 t-105 -103.03 118.24 36.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -138.95 137.72 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -115.9 96.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.2 mt -38.03 -67.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -163.02 157.48 20.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.0 m -97.5 129.82 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.92 144.33 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -163.68 146.32 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HG3' ' CD ' ' A' ' 59' ' ' GLU . 34.5 ttm180 -123.53 118.89 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' CG2' ' CE3' ' A' ' 29' ' ' TRP . 2.7 pp -124.26 151.26 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 58' ' ' LEU . 3.9 t-80 -104.07 130.1 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -124.29 163.58 21.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 12.3 pttp -131.29 124.61 30.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -102.04 159.6 15.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -58.69 85.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.18 144.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 119' ' ' ARG . 12.0 m-85 -52.58 -18.22 1.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 ptp -120.88 34.36 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 55.73 53.16 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.91 119.79 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.52 134.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 30.4 mt -121.08 138.52 27.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.81 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.579 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 8.5 mt -128.95 133.58 47.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' OE2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -111.32 114.22 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 7.0 mt -116.45 128.52 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.487 ' CG2' ' OE2' ' A' ' 59' ' ' GLU . 20.9 t -127.06 101.16 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CD2' HG13 ' A' ' 107' ' ' VAL . 84.3 m-85 -93.23 145.21 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -127.34 111.43 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt -102.91 96.5 7.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -168.33 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.635 2.223 . . . . 0.0 112.369 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.5 m -86.94 -17.03 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 70' ' ' SER . 29.7 m-20 -80.7 -44.47 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.63 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -47.36 149.22 1.96 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.539 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.7 -14.88 12.42 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' PRO . 1.4 t -34.38 -45.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 98.0 m -112.96 154.4 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.78 137.83 87.94 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 175.39 8.14 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.35 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.2 84.21 0.4 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.6 mt -73.43 143.55 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -137.3 121.38 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 94' ' ' LEU . 42.8 mm -116.74 117.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.66 119.97 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -126.03 139.19 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.42 -25.83 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -88.96 -52.26 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.64 149.03 40.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.6 p -86.16 -178.65 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -66.24 -55.74 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.32 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -68.59 -63.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 88' ' ' VAL . 1.4 p -45.63 -44.56 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.497 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 89.3 t -60.51 -43.61 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.4 m -58.76 -48.54 80.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.1 t -54.95 -60.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -47.66 -58.8 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.41 -43.78 16.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -63.38 -59.93 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 77' ' ' ILE . 24.1 mt -40.6 -44.3 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.3 mm? -51.22 -64.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -40.59 -57.6 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.3 -57.69 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' LEU . 30.6 mt-10 -39.98 -68.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.4 t -45.51 -32.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.5 30.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.1 mt -66.84 173.68 3.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 7.1 m 40.73 25.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 102' ' ' LEU . 4.3 mt-10 -150.06 161.44 31.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 114.09 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.435 ' HB2' ' CD1' ' A' ' 110' ' ' LEU . 16.9 ptp -111.74 -45.53 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.558 HG13 ' CD2' ' A' ' 62' ' ' PHE . 38.6 t -35.27 -44.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -74.88 -65.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.0 mm-40 -46.23 -60.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 106' ' ' MET . 53.9 mt -35.21 -56.19 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.6 t -48.68 -58.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.53 -32.46 68.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.562 ' CH2' HD12 ' A' ' 121' ' ' ILE . 61.4 t90 -68.02 -45.79 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 8.0 tp -74.93 -31.7 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' A' ' 47' ' ' LYS . 4.2 mm100 -65.15 -27.72 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -101.82 -39.78 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -97.32 39.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.12 -52.63 13.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 119' ' ' ARG . 3.9 ptm85 -64.36 -40.97 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -55.05 -44.85 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.562 HD12 ' CH2' ' A' ' 113' ' ' TRP . 77.7 mt -74.45 -41.92 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.414 ' N ' HD13 ' A' ' 122' ' ' LEU . 10.0 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.788 0.328 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -90.28 -47.68 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.1 pp20? -51.82 -40.06 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 16' ' ' LEU . 14.9 tt0 -60.19 -68.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 15' ' ' GLU . 75.6 mt -33.73 -38.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' GLU . 16.3 t -79.81 -51.09 9.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 14' ' ' GLU . 46.4 t -51.67 -34.59 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.16 -44.85 90.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.61 -22.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.11 -50.95 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 108' ' ' HIS . 73.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.492 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 33.1 t-105 -113.29 110.12 19.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -127.52 132.64 49.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.9 t -117.36 102.58 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.0 -64.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -161.45 154.57 21.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.8 m -97.16 126.4 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.69 146.41 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -162.83 161.58 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 ttt85 -139.93 110.91 6.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.492 ' CG2' ' CE3' ' A' ' 29' ' ' TRP . 2.4 pp -112.14 150.2 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -96.07 130.24 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 t -132.92 158.15 43.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -130.55 134.19 46.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' CB ' HD11 ' A' ' 118' ' ' LEU . . . -98.81 -177.3 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.73 -6.1 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.54 -160.73 53.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -112.3 -52.5 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.342 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.8 ptm -99.11 39.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 64.26 42.18 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.44 118.48 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -47.09 127.49 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 47.9 mm -108.94 138.66 20.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.4 Cg_endo -69.79 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.0 tp -99.71 141.27 32.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -122.9 124.7 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.81 125.73 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.2 t -116.13 104.45 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -97.28 150.48 20.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -136.47 120.44 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -104.17 96.6 9.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -164.8 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.4 m -85.33 -39.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' SER . 6.5 m120 -67.62 -41.41 84.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.69 150.12 0.73 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.692 0.758 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.73 -8.48 10.47 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.363 -0.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 3.1 t -37.53 -46.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.6 t -107.32 162.54 13.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.44 133.95 86.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 157.65 59.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.376 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.32 91.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.19 143.86 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -138.76 143.87 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -128.14 113.1 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -156.74 119.98 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -125.99 155.41 41.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.83 -13.49 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' LEU . 7.5 mt-30 -103.4 -73.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' GLN . 68.6 mt -37.42 153.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 p -100.84 -179.61 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -58.07 -58.38 8.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.72 -61.32 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -43.06 -47.34 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.4 m -55.99 -56.91 15.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.7 t -40.47 -44.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.8 m -64.57 -66.03 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.0 t -39.9 -52.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 94' ' ' LEU . 44.4 tttt -60.97 -57.93 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -45.13 -24.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -85.38 -32.41 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LYS . 4.1 mp -71.3 -35.99 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.52 -53.18 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.42 ' HG3' ' NE2' ' A' ' 97' ' ' GLN . 6.5 pt-20 -52.55 -37.44 57.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 1.9 mp0 -71.63 -43.83 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.18 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.15 -64.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 t -51.34 -34.4 33.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 mt -89.55 25.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.4 mt -62.05 171.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t 40.89 25.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 102' ' ' LEU . 10.4 mt-10 -147.09 159.44 42.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.431 ' CB ' ' OE2' ' A' ' 15' ' ' GLU . 53.7 Cg_endo -69.76 82.88 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.7 ptp -81.51 -23.94 37.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 66.0 t -52.77 -49.45 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 22' ' ' ILE . 6.8 t-80 -71.85 -63.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -42.15 -59.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.9 mt -39.33 -50.65 2.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 80.6 t -52.64 -43.99 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -80.92 -10.69 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.551 ' CH2' HD11 ' A' ' 121' ' ' ILE . 47.6 t90 -81.57 -58.58 2.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.45 ' N ' ' CE3' ' A' ' 113' ' ' TRP . 6.4 tp -60.54 -46.47 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -37.84 -39.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -97.65 -38.62 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.432 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 15.0 m-80 -93.24 44.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 48' ' ' ALA . 7.3 tt -97.3 -34.43 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -90.18 -52.42 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -45.4 -38.51 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.551 HD11 ' CH2' ' A' ' 113' ' ' TRP . 67.0 mt -67.85 -47.44 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.75 0.31 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 8.3 pt20 -52.47 -37.36 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 46.3 mt-10 -65.01 -48.11 75.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -52.24 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.468 HD21 ' CE2' ' A' ' 42' ' ' PHE . 61.3 mt -55.19 -42.68 73.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.1 t -68.35 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.1 t -39.66 -50.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.39 -44.68 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -29.17 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.17 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 60.8 t-105 -97.86 130.71 44.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.94 136.86 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.3 t -123.89 99.09 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 mt -41.71 -69.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -139.23 150.39 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.3 ptt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.6 m -89.12 132.09 34.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.166 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.2 t -131.43 129.31 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.468 ' CE2' HD21 ' A' ' 16' ' ' LEU . 29.6 p90 -142.46 143.41 32.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 43' ' ' ARG . 27.5 ptt180 -131.95 114.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.6 ' CG2' ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -102.46 143.63 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -84.84 111.22 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.412 ' HB ' ' CD1' ' A' ' 44' ' ' ILE . 5.8 t -127.19 165.03 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -133.7 149.88 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -105.86 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.84 -15.03 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.605 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 67.06 -125.19 24.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 14.7 m-85 -157.65 128.7 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' PHE . 24.4 ptm 47.45 51.18 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 62.52 47.84 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -135.01 85.86 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 126.98 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 68.8 mt -112.21 138.68 21.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 54.1 Cg_endo -69.72 145.52 57.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 tp -151.46 136.67 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -120.18 100.79 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 77' ' ' ILE . 5.5 mt -91.97 115.87 28.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.0 t -108.05 102.98 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CD2' HG11 ' A' ' 107' ' ' VAL . 87.2 m-85 -98.48 128.06 44.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -107.68 119.81 40.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.9 mt -100.35 99.66 10.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.27 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 m -94.81 -28.75 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.19 -40.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.655 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.01 150.02 0.27 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.674 0.75 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.77 -7.82 10.2 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -38.73 -46.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -103.81 172.71 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.97 135.46 37.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.92 41.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.11 100.4 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.37 133.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 t -136.15 128.93 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' A' ' 60' ' ' LEU . 43.4 mm -112.25 130.58 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -155.15 119.8 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 t -126.12 153.11 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -69.57 -23.5 63.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -96.71 -62.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.9 mt -50.33 146.31 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.7 p -95.25 -178.89 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -55.52 -36.65 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.32 60.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.451 ' HG3' ' CD2' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -65.24 -26.16 67.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 76.9 m -87.59 -57.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.9 -34.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 97.8 m -72.84 -69.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 114' ' ' ILE . 85.7 t -37.12 -39.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -69.92 -65.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.37 -43.08 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.455 HD22 ' CZ3' ' A' ' 113' ' ' TRP . 11.0 mt -54.33 -44.51 72.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.62 -45.87 48.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -56.5 -53.01 62.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.545 ' OE1' ' CD2' ' A' ' 113' ' ' TRP . 23.1 mt-30 -57.45 -48.6 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -43.13 -61.42 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -55.09 -33.32 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -96.55 39.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' GLU . 11.8 mt -74.58 178.95 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' LEU . 7.5 t 37.76 29.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' LEU . 6.0 mm-40 -154.92 160.62 30.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.427 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -93.45 -32.61 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.549 HG11 ' CD2' ' A' ' 62' ' ' PHE . 61.2 t -38.47 -51.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.8 t-80 -71.51 -64.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' HIS . 14.2 mm-40 -36.09 -55.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 113' ' ' TRP . 14.9 mt -48.21 -62.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 110' ' ' LEU . 71.7 t -35.84 -47.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.52 -40.98 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.545 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 67.7 t90 -57.38 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.463 ' CD1' HG13 ' A' ' 90' ' ' VAL . 6.5 tp -69.37 -47.82 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.437 ' N ' HG21 ' A' ' 114' ' ' ILE . 44.4 mt-30 -39.82 -35.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -99.64 -44.26 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.84 37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 48' ' ' ALA . 2.4 tt -85.38 -40.59 16.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -79.18 -41.45 28.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.18 -35.17 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -73.25 -51.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 86' ' ' GLN . 8.0 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.766 0.317 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -63.15 -51.65 65.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -52.97 -61.0 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -39.91 -48.2 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.2 -49.51 75.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -59.14 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -39.03 -51.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD11 ' CG1' ' A' ' 107' ' ' VAL . 10.7 mt -65.74 -55.19 18.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.93 -22.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -80.31 -48.28 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -98.05 110.7 23.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -134.16 131.84 39.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.68 126.52 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.32 -59.34 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -158.96 133.66 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.4 m -108.91 120.86 43.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 111.131 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.0 t -124.59 128.48 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -146.54 143.32 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -120.18 100.94 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.509 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 1.7 pp -100.95 147.31 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -97.3 137.07 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -139.07 158.5 44.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -132.62 145.42 51.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.94 -175.83 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.74 -13.29 61.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 56' ' ' ILE . . . 60.27 128.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.46 ' CZ ' ' HG ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -44.07 -42.9 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.2 tpp -101.39 48.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.98 46.82 2.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.38 112.99 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -38.85 115.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CD1' ' HA2' ' A' ' 50' ' ' GLY . 59.2 mt -93.98 132.7 28.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 79' ' ' SER . 53.6 Cg_endo -69.81 101.4 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.2 mt -109.02 142.91 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mt -98.22 109.64 22.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.2 t -112.48 101.11 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.514 ' CD2' HG12 ' A' ' 107' ' ' VAL . 60.0 m-85 -94.6 125.14 39.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -108.7 113.86 27.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.9 mt -89.16 111.52 45.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -164.32 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.67 -36.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' TYR . 11.8 t-20 -73.26 -35.48 66.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.66 149.94 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.558 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.75 2.78 4.67 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.356 -0.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.497 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 58.0 m -75.73 46.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 t -174.76 170.26 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -96.67 124.51 50.24 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 140.81 43.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.04 96.54 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 95' ' ' LEU . 33.5 mt -88.58 140.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.2 m -142.37 139.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 94' ' ' LEU . 25.7 mm -131.12 125.17 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.58 119.73 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 13.6 t -126.23 155.68 41.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.39 -41.15 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.462 ' CD ' HG21 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -80.8 -35.92 32.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 22.9 mt -57.68 157.2 7.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -119.48 159.54 24.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -32.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.29 -64.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.4 ' CB ' HD23 ' A' ' 82' ' ' LEU . 55.8 mt-30 -55.02 -54.23 45.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.8 p -43.39 -27.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 74.6 t -85.42 -49.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.409 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 90.2 m -54.01 -39.87 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.22 -45.64 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.34 -58.92 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.463 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 25.3 pt-20 -42.98 -43.72 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 57.3 mmtt -60.74 -59.53 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.459 ' CD1' ' CD1' ' A' ' 77' ' ' ILE . 18.4 mt -39.01 -55.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 75' ' ' ILE . 20.8 mt -50.89 -56.71 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.63 -48.74 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.54 -43.97 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -42.32 -51.98 4.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -40.13 -57.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.8 t -57.4 -30.62 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.4 mt -97.04 34.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 104' ' ' GLU . 12.2 mt -69.84 177.05 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' LEU . 58.1 m 36.65 33.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' LEU . 3.4 mp0 -153.25 161.31 29.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 93.19 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.8 ptp -93.57 -42.06 9.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.514 HG12 ' CD2' ' A' ' 62' ' ' PHE . 69.4 t -33.79 -39.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' GLU . 13.0 t-160 -82.53 -70.89 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' HIS . 16.8 mt-10 -37.11 -53.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.465 HD11 ' CE1' ' A' ' 62' ' ' PHE . 72.0 mt -44.48 -53.65 6.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.0 t -52.41 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.2 mt -57.24 -23.64 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -77.61 -40.41 42.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.457 ' CD1' HD13 ' A' ' 121' ' ' ILE . 7.2 tp -79.2 -20.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 47' ' ' LYS . 3.2 mm100 -78.09 -24.5 47.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -104.85 -45.38 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -89.46 33.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 119' ' ' ARG . 12.6 tp -68.75 -64.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -36.96 -72.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 119' ' ' ARG . 36.8 t60 -35.07 -69.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.457 HD13 ' CD1' ' A' ' 114' ' ' ILE . 94.3 mt -39.6 -45.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.46 ' HG ' ' CZ ' ' A' ' 51' ' ' PHE . 4.2 mm? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.34 -51.88 57.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -54.65 -40.87 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.13 -37.1 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.25 -53.87 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -49.71 -30.79 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -78.37 -52.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.487 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 14.3 mt -57.9 -55.47 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.43 -19.0 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.61 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' HG21 ' A' ' 44' ' ' ILE . 11.1 t-105 -145.7 114.32 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -113.48 110.7 33.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -44.76 -64.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 m -144.54 167.67 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.7 m -92.14 124.35 36.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.146 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.96 123.32 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -142.75 137.66 29.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -116.97 114.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.569 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 pp -118.9 147.94 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.421 ' NE2' ' OE1' ' A' ' 59' ' ' GLU . 26.1 m80 -102.19 140.23 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.408 ' HG1' ' N ' ' A' ' 47' ' ' LYS . 8.1 t -136.91 157.74 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' N ' ' HG1' ' A' ' 46' ' ' THR . 15.4 pttm -116.32 150.37 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.81 174.31 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.83 -0.54 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.12 -146.49 36.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.474 ' CD2' ' HD2' ' A' ' 119' ' ' ARG . 9.2 m-85 -120.23 -41.36 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ASP . 8.4 ttm -125.64 78.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' MET . 4.1 m-20 36.86 47.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.35 112.08 7.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 130.82 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.433 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 67.5 mt -107.75 137.19 19.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.667 0.746 . . . . 0.0 111.126 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 102.98 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.3 tp -106.06 140.61 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 60' ' ' LEU . 9.2 tp10 -122.94 131.38 53.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.498 HD23 ' CZ ' ' A' ' 62' ' ' PHE . 4.4 mt -130.93 117.44 19.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.11 107.72 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' A' ' 107' ' ' VAL . 77.2 m-85 -105.49 150.26 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -132.79 123.55 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mt -102.5 96.7 7.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.47 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.86 -38.06 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' TYR . 10.3 m120 -66.16 -44.47 84.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -37.36 145.96 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.754 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 3.05 4.51 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.344 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.47 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.6 44.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 t -175.45 155.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.6 mt -84.35 121.86 75.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.568 0.699 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 145.88 58.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.01 109.71 2.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 76' ' ' SER . 22.9 mt -101.64 137.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.4 ' N ' HG21 ' A' ' 75' ' ' ILE . 5.0 t -138.58 123.95 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.7 mm -112.51 130.2 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -155.51 120.27 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -124.62 157.06 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.76 -15.18 49.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -101.89 -56.79 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.6 mt -53.72 151.09 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.8 p -91.66 158.91 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -43.07 -55.83 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.69 -68.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -41.1 -58.28 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 t -42.4 -61.32 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.9 t -41.3 -53.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.9 m -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.87 -54.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' GLU . 42.1 tttt -55.46 -62.21 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' LYS . 48.3 mt-10 -35.84 -51.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -57.57 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.425 HD21 ' CZ3' ' A' ' 113' ' ' TRP . 26.1 mt -40.39 -60.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' ALA . 4.4 mm? -43.26 -64.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -35.71 -56.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.58 -39.25 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -50.12 -57.04 8.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -41.7 -60.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.0 m -63.08 -21.29 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.5 mt -93.01 27.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.28 178.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 43.79 26.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.485 ' CG ' ' HD2' ' A' ' 105' ' ' PRO . 7.1 tt0 -155.09 141.48 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 104' ' ' GLU . 54.1 Cg_endo -69.72 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.7 ptp -71.03 -31.1 67.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 62' ' ' PHE . 72.0 t -35.44 -49.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -72.85 -52.04 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -49.74 -65.98 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' TRP . 23.3 mt -34.44 -62.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' LEU . 98.8 t -36.7 -45.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.56 -35.32 58.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' ' 110' ' ' LEU . 55.8 t90 -61.55 -57.79 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' GLN . 5.6 tp -60.7 -49.35 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' ILE . 36.0 mt-30 -34.35 -36.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ILE . 8.9 mm100 -101.97 -43.75 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.467 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 27.5 m-80 -83.74 39.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.6 tt -91.5 -38.71 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.474 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.6 ttt-85 -84.51 -46.1 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -48.58 -44.82 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 117' ' ' ASN . 74.9 mt -65.83 -39.8 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -130.83 160.18 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 t -77.47 124.91 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.65 -158.99 53.46 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -135.3 111.74 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 p -112.95 113.54 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.79 60.88 0.63 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 9' ' ' ALA . 3.5 ppp? -41.98 -47.59 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.485 ' N ' ' SD ' ' A' ' 8' ' ' MET . . . -167.34 148.4 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.7 mp0 -71.64 -60.08 2.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.1 Cg_endo -69.82 -46.99 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG1' ' HE3' ' A' ' 8' ' ' MET . 21.0 t -56.15 -37.95 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -70.92 -57.74 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -54.96 -42.03 71.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 35.3 tp10 -62.0 -30.5 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.52 -51.56 9.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -63.65 -54.08 41.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 p -45.9 -28.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -75.78 -37.29 59.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -12.62 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.46 9.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.62 -48.91 70.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -85.2 -48.24 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p 43.3 28.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -124.71 133.77 25.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HG2' ' CD2' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.71 -20.24 35.33 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.387 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 2.9 m170 -94.02 -34.8 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.41 -35.32 30.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 66.4 t-105 -109.01 110.39 21.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -138.18 129.57 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -114.85 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -48.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -147.39 129.1 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -127.04 131.62 50.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.42 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 1.3 m -121.96 167.03 13.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.11 -65.55 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -108.63 -35.96 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.42 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 13.9 m-20 -50.18 -19.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.25 179.57 15.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.0 m -144.79 115.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -119.15 128.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -145.96 144.9 30.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.454 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.5 tmt_? -121.72 113.6 19.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 pp -115.64 137.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -91.13 134.74 34.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -130.67 158.07 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -135.42 133.57 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.29 -175.64 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -84.41 22.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 40.43 -155.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -105.97 -25.64 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.905 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.12 72.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 44.38 27.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.5 157.59 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.57 121.43 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.85 129.25 26.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.04 4.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.1 mt -117.26 144.7 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.76 107.13 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 mt -113.58 107.36 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.454 HG22 ' CG ' ' A' ' 43' ' ' ARG . 55.8 t -106.78 101.85 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.563 ' CD2' HG12 ' A' ' 107' ' ' VAL . 60.7 m-85 -95.89 132.59 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -120.75 130.42 54.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 mt -106.0 96.55 13.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -176.17 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 m -80.01 -24.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 70' ' ' SER . 3.9 m120 -81.23 -36.43 30.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 69' ' ' PRO . 0.3 OUTLIER -44.5 146.94 1.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.929 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.3 Cg_endo -69.8 -14.33 12.55 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.304 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 4.7 t -35.1 -44.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.9 t -105.39 155.66 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.54 141.11 68.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.34 62.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.49 100.85 2.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.48 HG12 ' CE1' ' A' ' 62' ' ' PHE . 30.1 mt -97.1 141.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.2 t -137.66 109.25 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mm -94.22 131.91 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -154.87 119.96 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 t -126.05 134.0 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.31 -20.55 65.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -90.49 -60.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.08 164.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.5 p -88.23 -177.72 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -70.19 -29.75 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.69 -48.66 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -52.83 -53.77 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 15.7 p -52.04 -42.21 62.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.76 -37.73 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -65.67 -45.62 82.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -54.69 -48.34 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 92' ' ' GLU . 9.1 tttm -59.46 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' LYS . 11.0 mm-40 -35.3 -46.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -64.41 -57.58 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mp -45.25 -52.9 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.88 -54.61 42.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.96 -44.53 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -66.6 -46.45 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.28 -46.05 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -43.3 -57.76 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -62.66 -24.15 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.6 27.27 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.51 167.82 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.46 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 21.9 t 45.79 26.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -151.99 157.04 34.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.718 0.771 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.417 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.76 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.492 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -98.46 1.77 47.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.563 HG12 ' CD2' ' A' ' 62' ' ' PHE . 45.9 t -77.01 -30.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -86.93 -44.1 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -66.11 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.492 ' CD1' ' O ' ' A' ' 106' ' ' MET . 48.7 mt -34.6 -38.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.9 t -65.38 -67.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.8 mp -56.38 -13.08 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CH2' HD13 ' A' ' 121' ' ' ILE . 78.3 t90 -81.99 -53.99 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.436 ' CD1' HD11 ' A' ' 121' ' ' ILE . 6.2 tp -69.03 -31.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.412 ' N ' HG22 ' A' ' 114' ' ' ILE . 1.3 mp0 -59.9 -26.69 66.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -104.27 -47.56 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -84.7 35.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.82 -63.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -58.89 -24.39 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -71.45 -55.17 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.436 HD11 ' CD1' ' A' ' 114' ' ' ILE . 52.3 mt -59.22 -43.75 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 51' ' ' PHE . 41.3 mt -58.63 -29.98 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t -86.13 62.22 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -128.87 80.88 71.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.56 3.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.76 154.5 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 29.5 m -88.1 98.39 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -112.88 169.94 8.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -44.42 121.51 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.23 -170.27 13.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -115.19 164.34 14.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -86.65 -47.16 9.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.9 74.94 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt -86.2 158.3 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -48.2 147.09 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.571 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 3.5 mp0 -80.42 -66.6 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 54.3 Cg_endo -69.67 -51.17 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 76.4 t -52.9 -42.52 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -65.35 -51.94 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 4.3 mm-40 -50.7 -49.35 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -52.66 -42.98 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.8 mt -69.32 -60.28 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 20' ' ' ALA . 17.8 m -50.61 -57.78 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG2' ' O ' ' A' ' 14' ' ' GLU . 76.6 t -38.66 -56.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.69 -36.11 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 17' ' ' SER . . . -56.97 -13.58 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -48.51 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 mp -54.98 -46.59 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' CYS . 83.7 m-85 -85.22 -42.52 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' PHE . 28.9 p 34.11 39.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -136.54 137.95 25.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -10.79 29.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -105.45 -21.84 13.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -103.25 11.61 36.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -151.01 118.81 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -143.71 114.41 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -94.17 110.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.0 mt -63.69 -58.43 6.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -153.45 158.66 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -142.42 115.26 8.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 m -113.42 162.04 16.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.4 -60.65 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 38' ' ' ASP . 4.2 t -126.39 -35.36 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' THR . 9.4 m-20 -34.49 -35.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' THR . . . 131.46 147.82 6.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.5 m -98.78 136.0 39.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.178 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -130.52 115.34 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -140.45 145.94 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -130.86 109.88 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.522 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 1.1 pp -113.91 145.18 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -92.98 142.04 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 151.17 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -118.11 127.82 54.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.82 172.9 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 -9.79 11.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.66 176.58 6.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.544 ' CE2' ' HA ' ' A' ' 119' ' ' ARG . 38.4 m-85 -90.02 -48.23 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptm -95.79 35.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.51 51.41 6.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.88 122.03 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -45.52 117.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 46.6 mm -99.11 135.66 20.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.76 106.58 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.2 mt -116.11 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -115.95 116.43 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.44 124.14 50.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 86.6 t -117.72 108.09 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.415 ' CD2' HG13 ' A' ' 107' ' ' VAL . 43.2 m-85 -101.84 128.44 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -122.26 133.58 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.452 ' CD1' HG12 ' A' ' 12' ' ' VAL . 5.3 mt -106.65 103.06 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.82 -176.06 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.308 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.0 14.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 70' ' ' SER . 5.2 m120 -122.21 -30.63 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -49.92 150.03 4.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.72 0.771 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 54.5 Cg_endo -69.72 -16.02 12.26 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.392 -0.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.1 t -35.53 -46.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.1 t -99.64 167.67 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 98' ' ' ALA . 12.5 mt -84.12 142.76 41.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.673 0.749 . . . . 0.0 110.886 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.66 63.39 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.5 73.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.9 mt -72.98 131.7 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 t -139.21 113.88 9.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.93 123.97 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -154.95 120.1 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 t -125.88 155.61 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -69.39 -23.98 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -94.01 -55.71 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -43.3 156.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.5 p -100.37 -177.94 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 28.2 ttt85 -66.51 -32.05 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.52 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.18 -49.6 75.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -54.19 -34.16 59.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 41.5 t -72.31 -46.51 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.1 m -57.93 -60.86 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -37.78 -61.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -48.1 -60.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -39.18 -38.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -59.66 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.66 -38.92 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' ALA . 4.4 mm? -59.76 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.6 tm-20 -37.53 -49.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' NE2' ' CZ2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -70.14 -34.26 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -51.18 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ALA . 12.4 mt-10 -36.4 -63.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -53.45 -37.31 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ALA . 21.2 mt -86.77 30.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.05 162.4 29.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.6 m 54.38 41.8 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 8.3 pt-20 -168.63 152.01 5.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 81.23 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.5 ptp -82.2 -24.36 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.415 HG13 ' CD2' ' A' ' 62' ' ' PHE . 87.0 t -37.08 -53.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -66.81 -54.4 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -48.71 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.7 mt -40.32 -51.79 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 90.9 t -50.8 -49.76 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -72.14 -16.6 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.405 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 82.2 t90 -77.4 -66.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.433 ' CD1' HD13 ' A' ' 121' ' ' ILE . 7.7 tp -52.64 -42.29 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -51.69 -23.68 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.16 -44.47 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -95.63 35.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.5 tt -72.88 -42.46 63.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.544 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 15.4 ttp180 -80.33 -40.42 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -37.66 51.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.433 HD13 ' CD1' ' A' ' 114' ' ' ILE . 66.3 mt -65.8 -45.74 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.4 mp -83.69 35.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -49.37 -50.11 41.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -142.95 142.74 22.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.578 0.704 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -175.61 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -114.68 92.85 4.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.9 m -107.85 121.3 44.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -101.27 167.62 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -121.81 84.38 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.91 -72.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 m -110.95 150.03 29.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -93.18 154.66 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 -139.93 3.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mtm -104.99 -64.99 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.439 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -144.76 154.21 42.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 12.1 mm-40 -70.6 -60.05 3.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.7 Cg_endo -69.78 -10.62 29.0 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 54.5 t -92.04 -49.68 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -58.7 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -63.02 -47.52 82.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -52.09 -51.31 58.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.3 -60.2 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -43.55 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -39.62 -50.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.6 mt -56.56 -54.91 40.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -40.87 -35.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.09 91.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.563 HD13 ' CD2' ' A' ' 108' ' ' HIS . 19.2 mt -74.37 -47.47 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' ARG . 47.1 m-85 -81.31 -0.06 39.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' ALA . 29.1 p -34.77 -33.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' PHE . 76.1 mtt-85 -34.41 150.23 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 133.38 25.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 60.08 26.81 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -110.83 -38.41 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -94.03 117.93 30.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -139.63 131.3 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -121.35 105.16 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 43.6 mt -42.66 -67.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -151.64 159.39 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -131.62 110.28 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.9 t -121.77 153.44 38.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -88.92 -58.49 2.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 t -70.53 -38.82 74.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.78 -30.49 35.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.74 -175.36 16.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.5 m -110.92 125.78 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -124.91 127.83 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -149.67 162.32 40.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -145.71 133.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 pp -125.25 149.73 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -87.24 124.91 33.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 t -126.2 152.31 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -136.01 136.11 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.95 172.1 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.84 -5.01 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.34 -150.29 47.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 1.3 m-30 -111.23 -37.99 5.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASP . 10.3 tpt -119.99 74.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' MET . 57.5 m-20 35.94 45.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.25 143.46 47.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 114.82 22.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 17.5 mm -88.66 138.17 29.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.77 90.55 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.342 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.09 144.15 28.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -124.5 117.8 25.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -117.3 106.81 13.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -104.54 103.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -94.41 132.59 38.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -120.58 124.63 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.8 mt -106.13 96.54 13.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -173.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.01 -27.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -76.75 -42.77 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.643 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -38.55 150.03 0.21 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.674 0.75 . . . . 0.0 110.905 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.63 10.6 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.342 -0.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.3 m -38.78 -47.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t -101.32 147.54 26.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 7.2 mp -65.86 142.86 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 134.06 27.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.1 88.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.5 mt -86.17 140.47 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 t -134.42 130.85 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mm -122.11 107.82 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -141.85 119.99 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 t -126.02 133.29 51.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.65 -16.54 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -95.65 -68.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.7 mt -40.54 155.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.5 p -89.77 -178.98 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.66 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.77 -48.0 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' VAL . 22.5 mm-40 -59.02 -66.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -39.7 -26.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' GLN . 18.7 t -84.38 -50.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.5 m -55.8 -27.49 51.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 33.5 t -74.53 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -61.2 -53.62 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.61 -35.91 1.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.42 -58.36 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.39 -41.66 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.94 -41.0 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.53 -35.57 70.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -80.11 -31.36 39.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -51.48 -58.75 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -39.97 -66.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.3 t -51.24 -27.89 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.3 mt -93.93 33.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.21 156.93 27.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m 59.17 33.58 22.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.76 153.51 9.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.718 0.771 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.77 2.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.254 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 108' ' ' HIS . 0.8 OUTLIER -113.28 -31.42 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 106' ' ' MET . 79.0 t -34.36 -33.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.563 ' CD2' HD13 ' A' ' 22' ' ' ILE . 14.5 t-80 -83.86 -59.67 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.15 -50.79 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.6 -49.95 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.82 -53.45 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.1 mt -69.8 -15.47 63.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -76.44 -63.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 115' ' ' GLN . 4.2 tp -53.42 -40.97 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.401 ' OE1' ' CA ' ' A' ' 115' ' ' GLN . 0.5 OUTLIER -64.29 -12.26 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -104.2 -45.06 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -95.44 17.25 14.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.97 -65.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -61.22 -45.8 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -44.76 -50.53 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 51.6 mt -57.0 -61.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 122' ' ' LEU . 10.3 mp -77.82 46.37 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.0 m -99.16 -46.08 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -100.95 123.53 44.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.32 2.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.4 153.26 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.43 150.07 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t 63.25 41.8 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -109.18 147.25 32.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.61 104.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -76.41 -55.91 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -64.29 113.67 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.21 92.67 2.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.6 ttp -109.3 -52.99 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.05 160.69 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.484 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 9.1 mt-10 -67.31 -60.12 6.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.831 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.2 Cg_endo -69.75 -46.05 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -56.19 -53.24 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -55.03 -44.94 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLU . 5.6 mm-40 -51.97 -64.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' GLU . 5.4 tp10 -37.61 -58.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.01 -58.11 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -52.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -44.46 -44.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.89 -64.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -38.02 -41.47 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.71 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.4 mt -69.1 -38.03 77.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.493 ' O ' ' N ' ' A' ' 25' ' ' ARG . 32.0 m-85 -84.33 -0.89 54.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' ALA . 27.8 p -35.96 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' PHE . 13.4 mmp_? -40.13 153.23 0.21 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 125.07 11.71 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 m170 61.04 40.95 14.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -125.51 -9.02 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.9 t-105 -129.89 126.95 39.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.475 ' OE2' ' N ' ' A' ' 32' ' ' LEU . 9.6 tm-20 -144.78 140.86 28.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LEU . 90.4 t -124.98 97.19 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.475 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 31.8 mt -35.76 -70.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -154.18 172.73 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -142.33 145.06 33.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 m -119.83 147.5 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' A' ' 37' ' ' THR . 5.7 pt-20 -56.2 91.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 36' ' ' GLU . 9.9 t 43.73 43.24 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -119.95 -34.6 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.54 114.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 m -90.17 123.38 33.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.2 t -114.65 111.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 48.2 p90 -130.56 148.33 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -132.45 102.12 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.489 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 2.1 pp -103.09 151.07 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -92.73 136.14 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.3 t -141.48 148.98 40.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -117.33 132.21 56.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.5 161.94 13.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.08 -11.4 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.59 -154.11 49.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.74 -37.26 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' ASP . 24.5 ttp -124.56 74.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' MET . 9.0 t0 36.32 45.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.26 112.53 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.23 145.71 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 82.5 mt -128.13 138.43 32.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.78 94.72 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.8 tp -103.65 143.33 32.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -118.63 117.19 28.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.1 mt -109.23 129.81 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 75.8 t -123.64 102.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 64.8 m-85 -103.3 129.77 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -117.78 123.3 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.0 mt -103.23 96.54 8.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -164.11 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 38' ' ' ASP . 20.3 m -91.14 -10.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 71' ' ' CYS . 7.7 m120 -110.45 42.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.644 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -136.27 149.03 66.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.7 0.762 . . . . 0.0 110.905 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.77 1.14 5.46 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.3 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.469 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 23.1 t -32.93 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 67' ' ' ASN . 84.6 m -138.63 -177.93 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.13 122.81 88.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.27 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.73 113.18 4.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 76' ' ' SER . 54.7 mt -114.07 136.48 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.442 ' N ' HG23 ' A' ' 75' ' ' ILE . 3.5 m -140.88 138.25 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.7 mm -127.8 119.88 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.77 120.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -125.85 140.86 52.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.67 -28.73 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -87.87 -56.64 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 61.0 mt -47.33 149.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.0 p -92.8 164.66 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -55.81 -34.98 65.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.88 -43.77 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' THR . 45.7 mt-30 -68.79 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.2 p -38.46 -35.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.9 t -75.03 -42.0 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLN . 95.9 m -53.75 -53.18 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.3 t -52.31 -56.55 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 92' ' ' GLU . 30.0 tttt -50.73 -62.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' LYS . 22.5 mm-40 -36.47 -42.82 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -64.29 -53.28 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 94' ' ' LEU . 4.5 mm? -45.47 -49.46 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.08 -48.29 17.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -52.96 -52.44 58.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.96 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -40.05 -64.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' ALA . 14.4 mt-10 -36.36 -68.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t -46.99 -30.59 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 98' ' ' ALA . 16.9 mt -95.5 35.11 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.6 158.24 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 m 53.15 46.37 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.53 155.26 2.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 98.14 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.3 ptp -98.58 -35.28 10.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.503 HG13 ' CG ' ' A' ' 62' ' ' PHE . 82.4 t -34.99 -46.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.526 ' CE1' HD12 ' A' ' 112' ' ' LEU . 15.4 t-80 -73.24 -65.14 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -39.32 -57.26 1.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 11.2 mt -46.23 -48.08 17.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 97.9 t -51.55 -35.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' A' ' 108' ' ' HIS . 44.6 mt -82.99 -42.15 17.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.491 ' CH2' HD11 ' A' ' 121' ' ' ILE . 65.3 t90 -58.55 -40.39 82.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.425 ' CD1' HD23 ' A' ' 118' ' ' LEU . 8.0 tp -73.81 -42.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -49.74 -29.82 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -102.85 -44.88 5.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -86.19 36.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 114' ' ' ILE . 0.6 OUTLIER -79.21 -58.02 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -65.8 -37.05 85.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -54.24 -43.73 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.491 HD11 ' CH2' ' A' ' 113' ' ' TRP . 88.1 mt -70.17 -45.06 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.1 mt -82.26 39.92 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.8 p -79.38 -37.96 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -123.97 82.38 55.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.13 2.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.29 158.71 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.8 m 56.92 40.93 28.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -96.84 112.99 24.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -108.14 103.29 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 -104.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m 56.64 51.53 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 p -52.79 -17.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.06 99.09 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.401 ' HE2' ' CG1' ' A' ' 12' ' ' VAL . 2.2 ttp -108.07 -57.03 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.46 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -150.17 142.58 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.4 mm-40 -61.58 -59.64 12.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.74 -50.58 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.46 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 77.1 t -48.7 -56.18 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -58.08 -58.83 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -47.32 -40.48 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.12 -47.81 82.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.9 -48.3 71.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -44.76 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -71.47 -46.2 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.7 mt -49.32 -55.65 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -44.9 -39.16 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.61 -53.99 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.541 HD12 ' CD2' ' A' ' 108' ' ' HIS . 19.3 mt -61.41 -39.69 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.546 ' CE1' HD13 ' A' ' 44' ' ' ILE . 78.7 m-85 -87.48 0.05 56.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' ALA . 35.2 t -34.46 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' PHE . 3.4 mpt_? -37.78 154.98 0.11 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.539 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.76 138.64 38.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.242 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' PRO . 15.6 p80 45.9 39.26 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -128.63 13.14 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.514 ' CE3' HG23 ' A' ' 44' ' ' ILE . 68.2 t-105 -141.23 122.36 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -143.18 130.65 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' LEU . 75.8 t -120.77 98.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' VAL . 44.2 mt -38.03 -65.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -161.13 170.62 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -133.92 109.98 9.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.3 m -99.49 164.96 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -105.34 -44.95 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.4 t -90.32 -36.05 14.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -75.44 -49.31 19.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.07 -159.37 25.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.525 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.6 m -110.85 125.11 53.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.2 t -123.97 134.63 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 29.3 p90 -163.18 160.18 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.419 ' HD2' ' CD ' ' A' ' 59' ' ' GLU . 52.3 ttp180 -146.99 107.22 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.546 HD13 ' CE1' ' A' ' 23' ' ' PHE . 2.5 pp -104.42 148.51 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -85.84 121.8 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -128.21 155.62 44.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -124.1 142.95 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.38 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.01 -7.41 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.74 176.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -86.37 -49.98 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . 29.2 mmm -85.96 51.95 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.6 m-20 35.27 34.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' MET . . . -126.17 122.72 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -38.95 120.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.2 mm -106.42 131.01 22.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.19 144.64 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.419 ' CD ' ' HD2' ' A' ' 43' ' ' ARG . 42.8 tt0 -114.12 109.88 19.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -103.72 131.6 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.3 t -127.68 102.84 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 67.6 m-85 -101.83 156.03 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -146.06 117.51 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 11.0 mt -102.6 96.43 7.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.77 -172.89 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.258 . . . . 0.0 112.339 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.51 -37.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -66.55 -44.68 81.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -39.84 149.95 0.27 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.701 0.762 . . . . 0.0 110.936 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.565 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.8 -20.32 10.85 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.301 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' PRO . 20.1 p -34.0 -45.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 39.3 t -100.82 147.85 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.16 128.42 93.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.943 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.47 69.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.304 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.85 108.31 2.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -111.22 134.36 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 t -134.12 132.14 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.4 mm -122.16 115.04 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -153.74 119.98 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.46 ' HB3' ' CG ' ' A' ' 82' ' ' LEU . 11.0 t -125.91 124.56 41.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -39.88 -27.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' SER . 5.6 mm100 -89.57 -49.73 6.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 79' ' ' SER . 27.1 mt -44.64 167.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.0 p -104.13 155.18 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -52.18 -32.26 35.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.0 -46.08 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' CYS . 52.4 mt-30 -64.44 -58.38 6.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' GLN . 30.7 p -37.85 -39.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.13 -54.16 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -42.32 -44.84 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.3 -63.44 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.95 -54.14 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -46.07 -43.12 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt -64.45 -54.98 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.8 mp -44.23 -44.28 7.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.78 -54.11 50.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.59 -51.38 55.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ALA . 13.8 mm100 -60.66 -47.81 84.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -37.97 -52.9 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -43.05 -64.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 t -48.38 -32.1 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -98.62 36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.443 ' O ' ' C ' ' A' ' 103' ' ' SER . 5.5 mt -68.95 178.37 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.462 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 16.8 t 34.38 41.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -165.31 160.46 14.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 90.14 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.408 ' O ' ' CD1' ' A' ' 110' ' ' LEU . 0.0 OUTLIER -91.84 -22.96 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 88.3 t -48.23 -57.6 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.541 ' CD2' HD12 ' A' ' 22' ' ' ILE . 16.2 t-80 -67.15 -62.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 108' ' ' HIS . 60.7 mm-40 -36.88 -53.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' A' ' 106' ' ' MET . 9.0 mt -53.63 -51.81 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.8 t -45.11 -46.02 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.4 HD22 ' NE2' ' A' ' 108' ' ' HIS . 3.3 mm? -76.99 -36.73 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.53 ' CH2' HD13 ' A' ' 121' ' ' ILE . 44.5 t90 -57.67 -53.75 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.436 ' CG2' ' N ' ' A' ' 115' ' ' GLN . 9.8 tp -64.98 -48.25 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.436 ' N ' ' CG2' ' A' ' 114' ' ' ILE . 43.5 mt-30 -37.25 -43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -93.85 -50.17 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -83.21 39.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 122' ' ' LEU . 18.5 tp -85.77 -38.25 18.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -85.08 -40.2 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -53.77 -42.31 68.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.53 HD13 ' CH2' ' A' ' 113' ' ' TRP . 74.7 mt -67.66 -63.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 118' ' ' LEU . 6.0 mt -49.44 -56.7 8.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m 55.0 42.03 31.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -158.3 143.54 12.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 174.24 9.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.91 108.34 14.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.9 t -70.05 -41.39 74.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 179.942 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' GLY . 12.7 t -37.74 -61.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -128.49 165.06 21.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.05 -148.7 20.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -51.55 -56.51 13.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 p -148.81 115.45 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.93 -171.37 38.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.9 mtp -104.34 154.1 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -42.68 145.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 mt-10 -52.92 -59.44 8.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.702 0.763 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.81 -44.25 2.15 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 39.5 t -55.5 -49.68 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.73 -45.63 91.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.95 -51.08 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.11 -43.43 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.84 -49.49 67.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 m -60.62 -61.84 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.2 t -44.79 -59.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.5 mt -49.39 -34.98 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.48 -35.34 52.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.44 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt -60.66 -45.48 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -85.74 -1.59 57.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' ARG . 47.1 t -41.42 -34.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' CYS . 33.2 mmm-85 -36.86 152.23 0.11 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 110.856 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.452 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 53.4 Cg_endo -69.8 132.37 23.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.234 . . . . 0.0 112.358 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 69.8 m-70 61.95 25.03 14.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -116.83 -34.06 4.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 37.0 t-105 -104.67 115.81 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -140.5 129.92 23.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 76.3 t -119.11 109.02 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 40.7 mt -51.96 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -151.74 145.33 24.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -136.93 117.36 13.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -114.37 163.08 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -68.15 -45.14 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 t -132.02 -37.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -41.36 -28.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.26 143.23 6.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.5 m -104.29 122.59 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.3 t -127.01 122.75 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -138.34 159.58 41.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -145.24 123.75 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.428 ' C ' HD13 ' A' ' 44' ' ' ILE . 2.8 pp -124.75 148.92 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -92.3 134.74 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.9 t -136.23 151.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -117.59 119.98 36.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.42 159.88 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.1 tp10 -58.42 94.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.7 153.32 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -52.46 -31.59 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.8 ptm -120.0 37.55 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.12 54.19 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -145.81 108.01 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -34.5 128.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 48.8 mm -118.51 138.45 25.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.74 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.408 ' CD2' ' OE1' ' A' ' 115' ' ' GLN . 67.0 tp -99.58 130.15 45.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -118.1 114.29 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 ' CD2' HD13 ' A' ' 77' ' ' ILE . 9.8 mt -111.28 121.5 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -112.47 101.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.432 ' CE1' HG12 ' A' ' 75' ' ' ILE . 98.0 m-85 -93.49 138.23 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -120.23 122.94 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 mt -103.72 99.67 16.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -166.48 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.677 2.252 . . . . 0.0 112.37 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.01 -22.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 68' ' ' TYR . 75.0 m-20 -75.83 -45.42 35.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.565 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -35.79 144.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.79 3.51 4.42 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.326 -0.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.476 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.27 43.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 t -175.81 158.9 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.0 mt -87.74 129.82 49.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.487 ' CD ' ' SD ' ' A' ' 106' ' ' MET . 54.0 Cg_endo -69.75 131.39 21.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.32 111.01 3.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.523 ' CG2' ' CD1' ' A' ' 77' ' ' ILE . 40.8 mt -106.71 125.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -126.88 107.04 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.523 ' CD1' ' CG2' ' A' ' 75' ' ' ILE . 1.5 mp -96.24 113.03 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -134.87 119.94 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -126.19 144.51 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -86.49 -56.07 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.1 mt -57.14 154.59 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.4 p -103.96 169.21 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -52.28 -48.8 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -69.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -42.59 -59.08 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.0 m -44.79 -60.23 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 80.5 t -38.3 -48.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -51.86 -50.36 61.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.15 -63.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -42.39 -56.8 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.54 -53.46 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -50.87 -46.09 60.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.8 mt -61.17 -60.5 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.3 mm? -46.67 -43.92 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.72 -44.43 77.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.33 -42.52 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -38.15 -59.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -38.74 -58.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.0 p -55.71 -32.49 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.7 mt -95.64 35.4 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' GLU . 10.0 mt -70.47 178.44 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p 37.6 32.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' LEU . 15.6 mt-10 -157.24 161.43 29.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.657 0.742 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 87.2 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.487 ' SD ' ' CD ' ' A' ' 73' ' ' PRO . 16.6 ptp -81.79 -47.27 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 106' ' ' MET . 53.6 t -33.77 -52.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' GLU . 12.3 t-80 -64.61 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.8 mm-40 -37.46 -62.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' GLU . 56.5 mt -35.55 -47.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 57.7 t -54.24 -58.38 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.11 -25.54 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -69.59 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 115' ' ' GLN . 5.1 tp -61.12 -51.77 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 114' ' ' ILE . 5.9 mm100 -34.83 -38.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -96.68 -45.97 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -90.32 44.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.1 tp -89.41 -38.09 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -67.63 -39.64 84.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -60.46 -32.13 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 46.3 mm -50.09 -50.91 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 122' ' ' LEU . 3.6 mm? -100.7 40.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLN . 70.4 m -109.02 -37.34 5.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' SER . 0.6 OUTLIER -35.0 142.47 0.25 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.28 35.04 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.76 37.34 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.3 m -51.73 134.5 30.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -114.96 157.34 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p 39.67 50.38 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.67 -64.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -104.98 176.64 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -154.25 163.37 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.48 95.1 1.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.537 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mmt -142.85 145.56 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.7 152.73 44.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.488 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 19.6 mm-40 -60.99 -60.05 11.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.2 Cg_endo -69.8 -29.89 22.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.346 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -73.53 -36.27 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -75.45 -53.21 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 15' ' ' GLU . 8.6 pt-20 -47.02 -45.85 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 7.4 tp10 -57.14 -67.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -44.36 -39.47 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -62.84 -48.91 77.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 80.0 t -65.73 -50.13 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 mt -44.88 -52.47 8.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.02 -28.6 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . . . -77.82 -52.46 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.441 HG12 ' CD2' ' A' ' 108' ' ' HIS . 1.7 mp -41.48 -41.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 25' ' ' ARG . 9.3 m-85 -99.35 -23.37 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 23' ' ' PHE . 2.3 m 33.16 35.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 23' ' ' PHE . 3.1 mmp_? -131.46 144.16 52.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.7 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.268 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -71.28 -33.65 69.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -73.86 -6.44 47.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.421 ' CZ2' ' CG2' ' A' ' 31' ' ' VAL . 68.0 t-105 -134.55 111.52 10.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -133.78 101.21 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 53.9 t -78.89 93.7 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.6 mt -44.1 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.1 p -139.23 162.6 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.403 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 51.1 mtm180 -141.26 110.86 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 67.0 m -117.16 164.43 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 16.9 mt-10 -99.96 -42.42 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.0 t -100.51 -40.69 7.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.454 ' N ' HG23 ' A' ' 37' ' ' THR . 73.0 m-20 -65.67 -44.48 86.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.49 160.6 10.25 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.3 m -91.15 123.22 34.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.161 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.1 122.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -145.13 157.4 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.467 ' CG ' HG22 ' A' ' 61' ' ' VAL . 4.9 tmm_? -142.41 131.71 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 ' CG2' ' HA ' ' A' ' 29' ' ' TRP . 2.7 pp -127.85 151.1 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.08 128.52 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.436 ' CG2' HD13 ' A' ' 60' ' ' LEU . 13.8 t -140.92 148.77 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 143.0 49.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 118' ' ' LEU . . . -104.74 176.15 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.76 -8.69 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 53.39 173.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -85.07 -47.49 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.23 41.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 45.32 42.38 7.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.97 163.72 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.06 17.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 89.6 mt -90.09 138.71 27.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 54.0 Cg_endo -69.76 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.5 tp -106.59 142.96 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -117.77 116.54 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 4.0 mt -114.96 113.22 23.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.467 HG22 ' CG ' ' A' ' 43' ' ' ARG . 67.7 t -112.49 103.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 92.8 m-85 -98.38 125.62 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -106.61 114.96 29.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.7 mt -101.6 97.94 8.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 10.5 m -90.03 -9.78 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 11.0 m-20 -93.43 -32.09 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -51.71 149.86 7.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.711 0.767 . . . . 0.0 110.913 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.82 -16.36 12.33 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 0.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.4 t -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.69 153.42 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.2 mt -74.13 134.8 77.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.927 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 171.75 13.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.49 88.35 1.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mt -83.54 135.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -138.36 142.13 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 39.1 mm -128.47 129.8 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -157.04 119.85 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.9 t -126.16 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.94 -31.72 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -85.12 -58.08 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.3 mt -49.73 147.22 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.7 p -93.06 178.13 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -61.48 -28.79 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.75 -44.74 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.453 ' NE2' ' OE1' ' A' ' 126' ' ' GLU . 70.0 mm-40 -66.88 -57.72 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.2 p -43.71 -33.47 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 68.9 t -75.56 -48.28 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -49.66 -51.49 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.1 t -54.61 -54.95 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -50.73 -58.5 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -40.18 -47.01 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -60.04 -55.65 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -47.14 -41.86 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.48 -51.04 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.62 -52.7 37.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -56.43 -49.83 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -41.07 -62.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 98' ' ' ALA . 32.7 mt-10 -36.12 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 m -54.09 -29.29 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 98' ' ' ALA . 13.3 mt -92.61 36.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.0 156.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 t 57.71 42.92 22.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -170.42 152.86 4.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 89.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 107' ' ' VAL . 4.4 ptp -88.16 -38.97 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.5 HG11 ' CD2' ' A' ' 62' ' ' PHE . 85.6 t -31.02 -61.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.441 ' CD2' HG12 ' A' ' 22' ' ' ILE . 15.6 t-80 -59.4 -43.65 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' MET . 16.9 mm-40 -63.23 -67.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 109' ' ' GLU . 25.3 mt -33.93 -46.48 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.466 HG12 ' NE2' ' A' ' 115' ' ' GLN . 96.9 t -52.84 -52.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.33 -36.79 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -54.33 -56.39 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.428 ' CD1' HG13 ' A' ' 121' ' ' ILE . 6.9 tp -68.92 -37.75 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.466 ' NE2' HG12 ' A' ' 111' ' ' VAL . 34.8 mt-30 -46.35 -38.43 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -104.81 -50.67 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -77.42 46.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 48' ' ' ALA . 7.0 tt -87.55 -48.66 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -29.26 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.48 -36.23 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.428 HG13 ' CD1' ' A' ' 114' ' ' ILE . 29.6 mm -49.7 -55.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.87 39.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.6 t -51.0 -53.51 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -108.69 142.17 24.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 129.62 17.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.453 ' OE1' ' NE2' ' A' ' 86' ' ' GLN . 7.7 pt-20 -53.47 -27.92 27.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.6 p -98.76 173.64 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.467 ' N ' HH22 ' A' ' 34' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 p -69.94 93.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 m -150.96 169.77 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 119.0 11.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -114.48 102.35 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -97.17 -41.37 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 81.1 0.55 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -3.36 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -172.35 139.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 14.0 mm-40 -75.71 -62.96 0.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.6 Cg_endo -69.81 -50.49 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.443 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 11.8 t -54.78 -27.73 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -82.83 -44.26 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.22 -55.28 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.414 ' CD ' HD12 ' A' ' 19' ' ' LEU . 6.5 tm-20 -42.09 -47.87 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.3 mt -61.87 -47.18 86.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -60.4 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -41.98 -46.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 ' CD ' ' A' ' 15' ' ' GLU . 10.1 mt -51.25 -41.43 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.01 61.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.51 -36.53 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.547 HD11 ' CD2' ' A' ' 108' ' ' HIS . 98.7 mt -52.68 -41.92 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -95.48 -50.11 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.9 t 38.89 31.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -97.71 147.0 32.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 119.85 6.73 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' N ' ' CD2' ' A' ' 27' ' ' HIS . 3.8 m-70 64.78 37.93 7.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -121.85 -26.39 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 47.6 t-105 -107.53 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -144.28 122.2 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 32' ' ' LEU . 89.2 t -103.71 105.56 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' VAL . 44.3 mt -35.89 -66.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -148.71 164.11 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.467 HH22 ' N ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -138.7 110.88 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -119.37 165.5 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 36' ' ' GLU . 3.0 mp0 -92.26 -45.48 8.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -99.96 -38.48 8.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -68.55 -18.09 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.6 171.86 34.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.536 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -110.66 129.97 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 63.1 t -125.41 125.62 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.509 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 53.9 p90 -136.99 153.59 50.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -141.46 116.37 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 44' ' ' ILE . 2.6 pp -117.51 148.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -86.0 124.98 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.0 t -129.7 159.74 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -130.94 132.42 45.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.78 -176.97 6.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' GLY . 67.0 mt-10 -84.07 40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 36.13 -149.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -109.03 -54.73 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptm -123.89 65.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 70.48 43.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.44 173.8 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.88 140.25 49.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 77.2 mt -132.66 138.42 31.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.76 122.28 8.96 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -132.53 129.68 39.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.13 107.94 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.4 mt -102.98 112.94 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.3 t -107.03 108.19 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 70.8 m-85 -102.36 139.41 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 1.7 t-160 -125.48 135.05 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 63' ' ' HIS . 13.0 mt -116.38 96.45 47.85 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.8 -21.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' CYS . 74.3 m-20 -106.17 48.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.65 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -135.0 149.75 71.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.646 0.736 . . . . 0.0 110.945 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 0.68 5.67 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -32.68 -36.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 67' ' ' ASN . 12.1 m -131.25 174.83 9.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 98' ' ' ALA . 3.9 mm? -69.2 129.61 91.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.938 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -166.97 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -108.62 85.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 64.3 mt -81.13 135.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.132 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 t -139.21 143.89 38.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 9.0 mm -135.18 120.16 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -154.83 120.04 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -126.08 153.36 44.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.7 0.08 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.66 -36.66 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 163.37 27.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.5 p -98.54 -179.28 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -66.58 -57.43 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.0 -59.34 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.4 OUTLIER -49.28 -54.88 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -42.02 -50.04 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.19 -53.73 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.0 m -48.52 -48.18 38.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.0 -46.48 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -62.35 -56.03 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -43.61 -47.35 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -57.73 -58.71 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.6 mt -45.09 -41.18 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -59.37 -41.65 89.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -60.99 -54.02 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -62.05 -34.79 76.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.467 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . . . -49.81 -59.23 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -38.47 -68.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.6 t -47.03 -30.41 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ALA . 14.9 mt -93.77 29.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.53 170.62 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m 41.8 26.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -148.61 160.48 36.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 88.05 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 107' ' ' VAL . 14.1 ptp -85.29 -43.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 106' ' ' MET . 58.4 t -34.07 -43.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.547 ' CD2' HD11 ' A' ' 22' ' ' ILE . 11.8 t-160 -79.03 -69.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -37.99 -57.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 113' ' ' TRP . 41.0 mt -41.19 -63.59 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.6 t -40.06 -51.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.15 -31.07 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' LEU . 76.0 t90 -68.0 -60.64 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.5 tp -60.48 -28.77 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -68.2 -32.23 72.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -103.01 -15.02 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.445 ' ND2' ' CD1' ' A' ' 113' ' ' TRP . 66.6 m-80 -112.27 24.2 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 121' ' ' ILE . 6.2 tp -64.76 -71.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -27.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -69.83 -41.6 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 118' ' ' LEU . 90.7 mt -74.98 -42.53 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.9 mt -83.71 35.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 124' ' ' GLN . 3.9 t -107.18 -56.18 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 123' ' ' SER . 1.3 mp0 -36.03 143.76 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 148.23 64.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.438 ' OE1' ' C ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -103.04 128.85 49.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.4 m -77.72 -64.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -56.7 -44.69 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -81.57 94.49 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.92 153.42 25.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -156.94 132.32 9.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 m -133.52 175.17 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.06 -167.79 11.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.42 -26.54 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HB1' ' CG2' ' A' ' 12' ' ' VAL . . . -149.72 150.62 32.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 18.0 mm-40 -57.54 -60.05 11.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.5 Cg_endo -69.81 -38.97 6.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.433 ' CG2' ' HB1' ' A' ' 9' ' ' ALA . 84.7 t -57.98 -43.91 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.61 -54.15 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -45.75 -50.14 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -52.81 -54.68 30.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.63 -47.67 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -57.02 -55.66 31.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.8 t -53.86 -54.25 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD23 ' CD2' ' A' ' 108' ' ' HIS . 31.5 mt -54.46 -49.78 69.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' O ' ' CA ' ' A' ' 24' ' ' CYS . . . -43.19 -23.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -69.06 -61.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.0 mp -69.73 -36.09 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 24' ' ' CYS . 20.1 m-85 -91.07 0.15 57.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.489 ' CA ' ' O ' ' A' ' 20' ' ' ALA . 21.1 p -33.16 -41.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.477 ' CD ' ' HB2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -36.17 133.31 0.59 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.718 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.71 2.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.382 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.477 ' HB2' ' CD ' ' A' ' 25' ' ' ARG . 3.6 m170 -126.1 -14.56 6.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -94.19 -33.89 13.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.45 ' CZ2' ' CG2' ' A' ' 31' ' ' VAL . 44.5 t-105 -102.17 121.01 41.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -144.45 123.14 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 73.3 t -118.42 104.24 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.35 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m -152.01 136.08 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -119.83 110.61 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 2.0 m -103.87 164.79 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.08 -37.7 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -100.09 -27.96 13.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.404 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 11.4 t70 -89.52 -23.42 22.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.27 164.47 19.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -99.92 126.38 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.48 144.55 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 18.5 p90 -163.76 151.47 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.06 105.08 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.508 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 1.9 pp -101.25 152.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -98.2 132.13 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 t -137.28 151.95 49.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -128.05 132.98 49.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.453 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -97.96 -175.07 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLY . 20.0 mt-10 -83.91 35.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 34.43 -134.8 0.36 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -127.66 -37.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.5 ptm -115.49 40.44 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 69.82 37.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -128.65 104.56 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.82 132.0 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 41.9 mm -117.78 138.65 25.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 129.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -136.94 156.39 48.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -136.43 116.99 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 7.3 mt -118.96 119.98 35.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 48.2 t -106.75 102.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CE1' HG12 ' A' ' 75' ' ' ILE . 94.6 m-85 -95.16 122.42 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.49 118.74 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.59 96.55 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.954 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -166.43 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.348 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 m -87.64 -31.65 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.48 -43.22 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.37 149.86 0.29 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.904 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.18 10.36 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.387 -0.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -34.32 -45.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.6 m -106.61 174.59 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 137.22 27.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 136.96 34.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -72.02 107.78 2.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 62' ' ' PHE . 24.9 mt -101.16 134.27 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 75' ' ' ILE . 18.1 m -129.01 115.14 17.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.512 ' CD1' ' CG2' ' A' ' 75' ' ' ILE . 1.4 mp -105.19 112.85 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -145.17 119.9 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -126.03 146.22 49.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -65.7 -19.19 65.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.79 -52.09 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.92 159.68 25.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.5 p -98.43 166.23 11.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -51.03 -50.0 59.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.68 -67.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -43.63 -42.17 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -57.32 -53.65 55.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.6 t -47.13 -50.02 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.2 m -51.97 -62.13 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.42 HG12 ' CD1' ' A' ' 94' ' ' LEU . 41.2 t -38.55 -64.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -43.64 -57.42 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -42.88 -51.2 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -57.94 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' CD1' HG12 ' A' ' 90' ' ' VAL . 3.3 mp -48.12 -55.68 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.17 -48.98 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.47 -45.16 62.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -68.16 -44.33 76.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -39.64 -58.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -37.58 -63.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 t -50.9 -36.56 38.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 9.0 mt -93.76 39.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.22 172.59 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 m 41.66 30.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -153.92 160.56 30.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 99.78 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' VAL . 19.1 ptp -101.32 -40.99 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 106' ' ' MET . 59.6 t -33.84 -54.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.475 ' CD2' HD23 ' A' ' 19' ' ' LEU . 11.9 t-160 -65.9 -57.69 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -50.12 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . 18.5 mt -34.49 -51.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -53.34 -44.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' GLU . 33.1 mt -78.15 -13.92 59.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -85.5 -45.27 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.9 tp -71.68 -25.26 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.97 -34.41 74.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -104.7 -39.8 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.0 36.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.453 HD13 ' CB ' ' A' ' 48' ' ' ALA . 5.1 tt -82.49 -57.57 3.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 28.3 ptt180 -59.1 -41.29 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.416 ' N ' ' HG3' ' A' ' 119' ' ' ARG . 8.0 t-80 -51.34 -62.83 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 120' ' ' HIS . 74.3 mt -36.75 -44.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.12 -72.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.7 t 66.58 37.01 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -114.98 83.72 9.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 113.97 3.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -102.02 -43.58 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.9 m 66.47 51.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 m 59.22 41.26 20.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.924 0.393 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 t -123.73 80.21 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.82 173.02 28.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -121.15 43.64 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -151.71 134.0 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.93 -103.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -111.31 -29.49 7.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.9 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' CB ' HG23 ' A' ' 12' ' ' VAL . . . -170.71 152.77 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.7 mm-40 -66.01 -60.09 7.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.67 0.747 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.2 Cg_endo -69.79 -47.03 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG23 ' CB ' ' A' ' 9' ' ' ALA . 86.7 t -52.6 -42.24 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -72.9 -60.03 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -41.69 -41.16 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.66 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' CD2' ' CD2' ' A' ' 42' ' ' PHE . 83.0 mt -46.09 -45.68 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 t -66.89 -62.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.3 t -43.49 -43.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.12 -47.2 65.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -24.51 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.66 -46.58 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.512 HD12 ' CE1' ' A' ' 108' ' ' HIS . 40.7 mt -52.6 -41.88 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -84.31 -54.52 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 p 45.83 28.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -97.51 143.32 25.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 134.89 29.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 46.63 34.37 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -119.61 -9.69 9.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.592 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 16.9 t-105 -123.16 122.39 38.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -142.27 142.03 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' LEU . 53.8 t -119.81 98.03 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' VAL . 53.2 mt -36.25 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -160.83 146.44 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -124.66 133.09 53.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -112.02 155.22 24.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.76 -46.02 83.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' GLY . 8.2 t -130.94 -43.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.13 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' THR . . . 130.28 -167.42 21.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.0 m -144.75 123.67 12.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 111.183 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 52.6 t -118.93 116.83 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 26.1 p90 -138.23 152.15 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -137.06 127.7 26.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.592 ' CG2' ' CE3' ' A' ' 29' ' ' TRP . 2.6 pp -123.47 143.96 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -92.1 127.94 37.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.9 t -135.28 160.07 39.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -128.49 126.73 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.403 ' CB ' HD23 ' A' ' 118' ' ' LEU . . . -87.44 -176.94 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.38 4.34 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.3 -142.69 44.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.93 -32.81 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' ASP . 5.0 ptm -131.88 83.02 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.4 t70 35.37 43.85 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -132.3 160.82 35.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.43 136.39 41.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 37.6 mm -117.45 138.18 24.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.588 0.708 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 tp -98.08 125.23 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -108.58 101.25 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 77' ' ' ILE . 10.0 mt -99.61 105.02 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 45.8 t -106.92 103.66 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 60' ' ' LEU . 66.3 m-85 -100.77 127.9 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -116.22 120.02 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.5 HD23 ' CE2' ' A' ' 68' ' ' TYR . 2.6 mt -103.56 96.45 8.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -168.2 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -63.29 -69.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' VAL . 5.2 m120 -33.85 -53.37 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.544 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 3.2 t80 -34.75 142.57 0.24 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.79 -11.3 11.91 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.375 -0.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' PRO . 28.6 m -34.12 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.4 p -110.56 165.55 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.48 143.01 78.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 138.46 37.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.32 90.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.26 134.51 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.0 m -138.14 117.94 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.466 ' CD1' HD23 ' A' ' 60' ' ' LEU . 21.8 mm -108.58 118.3 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -149.74 122.81 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 t -124.42 135.91 53.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.29 -10.29 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -104.91 -56.54 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 mt -57.7 163.58 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 48.7 p -97.98 175.4 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.3 -62.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.35 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -48.81 -25.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 m -88.68 -66.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -38.92 -33.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.0 m -63.87 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -38.84 -47.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 92' ' ' GLU . 68.1 tttt -59.24 -61.03 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 18.2 mt-10 -34.83 -45.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -67.39 -54.45 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 38.0 mt -44.64 -41.13 6.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.3 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -41.12 -52.05 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.89 -55.08 39.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.425 ' CB ' ' SD ' ' A' ' 106' ' ' MET . . . -36.92 -58.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' LEU . 20.2 mt-10 -42.21 -65.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 t -47.04 -28.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.46 30.22 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 99' ' ' GLU . 9.4 mt -65.19 159.24 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.8 m 51.59 26.85 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -153.03 160.68 30.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.25 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.234 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.425 ' SD ' ' CB ' ' A' ' 98' ' ' ALA . 6.5 ptp -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 54.3 t -41.51 -50.42 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.512 ' CE1' HD12 ' A' ' 22' ' ' ILE . 10.2 t-160 -67.42 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 110' ' ' LEU . 28.0 mt-10 -41.97 -63.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLU . 16.0 mt -36.36 -58.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.438 ' O ' ' CG ' ' A' ' 115' ' ' GLN . 37.8 t -43.31 -49.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.6 mt -70.82 -33.56 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 118' ' ' LEU . 6.4 tp -61.65 -49.87 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.438 ' CG ' ' O ' ' A' ' 111' ' ' VAL . 4.0 mm100 -40.11 -40.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -88.18 -35.6 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -103.74 40.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' ILE . 45.7 tp -79.67 -49.52 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -44.6 -52.8 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 62.8 mt -65.81 -46.71 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.44 36.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 t -96.44 -43.85 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -54.27 130.83 61.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 147.18 62.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.345 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -110.14 161.33 15.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.7 m -89.7 94.63 9.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -116.35 163.05 16.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -123.23 120.44 33.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.23 89.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -140.5 148.23 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.826 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -108.85 118.33 36.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.27 -48.92 0.38 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 mmm -75.78 155.89 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.461 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -63.4 144.66 56.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.1 mm-40 -70.57 -59.38 3.89 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.74 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 61.6 t -53.31 -51.74 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 46.3 tt0 -53.45 -50.81 64.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . 16.7 mm-40 -48.98 -65.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' GLU . 21.7 tt0 -35.81 -50.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.91 -43.59 98.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' GLU . 15.3 t -64.38 -52.16 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -48.22 -57.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.3 mt -48.07 -40.45 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -46.11 -34.73 4.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.96 -58.42 4.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mp -44.5 -56.03 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.406 ' CZ ' HD13 ' A' ' 44' ' ' ILE . 50.7 m-85 -79.66 -51.82 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 20' ' ' ALA . 46.9 t 43.47 37.85 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -140.42 139.19 20.03 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -14.08 35.51 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -98.05 -40.22 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 1.4 mp0 -76.06 -45.34 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.554 ' CE3' HG23 ' A' ' 44' ' ' ILE . 71.7 t-105 -99.72 118.97 37.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -144.39 124.07 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.5 t -114.87 110.01 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.63 -61.58 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -152.27 143.16 23.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -134.16 136.23 43.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.5 m -121.11 166.8 13.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -65.12 -60.37 3.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.5 t -125.9 -37.13 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -39.02 -40.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 145.85 158.25 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -124.94 124.8 42.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.87 127.62 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 40.5 p90 -148.92 149.4 31.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.42 ' HG3' ' CG2' ' A' ' 61' ' ' VAL . 20.4 ttt180 -131.07 102.79 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.554 HG23 ' CE3' ' A' ' 29' ' ' TRP . 2.0 pp -106.35 150.85 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.489 ' CD2' ' OE2' ' A' ' 59' ' ' GLU . 38.8 m170 -100.44 144.7 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 t -140.98 154.59 46.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.51 136.12 54.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -109.13 169.24 8.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.74 -14.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 53.25 -126.92 35.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 28.1 m-85 -147.04 116.39 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 mtm 74.97 45.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.72 28.8 18.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.79 100.04 9.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.26 127.17 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.2 mt -113.76 131.75 22.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.79 18.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -116.82 162.15 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 45' ' ' HIS . 3.6 tp10 -136.1 106.78 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.04 118.15 31.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' CG2' ' HG3' ' A' ' 43' ' ' ARG . 97.6 t -112.65 103.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 95.9 m-85 -98.52 119.9 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -110.75 115.42 29.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.9 mt -94.67 105.09 16.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.0 m -91.07 -24.73 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' TYR . 5.5 m120 -80.66 -41.79 23.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.615 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -35.67 148.51 0.14 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.79 3.09 4.58 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.482 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 49.0 m -76.42 45.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 47.9 t -176.05 154.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -83.04 128.46 65.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 151.84 69.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.26 82.04 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 76' ' ' SER . 26.5 mt -78.3 138.65 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 111.094 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.451 ' N ' HG21 ' A' ' 75' ' ' ILE . 2.2 t -142.2 134.76 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.6 mm -126.6 123.08 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -157.09 121.4 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.5 t -124.91 149.94 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.08 -27.15 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -87.91 -61.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 mt -55.47 146.69 19.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.4 p -82.12 169.57 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -56.93 -65.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.55 -36.54 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.59 -65.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 p -48.7 -31.61 7.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.15 -45.15 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.5 m -60.82 -40.98 94.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.3 t -55.57 -56.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -53.46 -56.64 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -40.66 -42.45 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -63.14 -49.6 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.8 mt -54.68 -42.41 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.39 -55.16 20.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.92 -54.89 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -55.15 -47.67 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.13 -59.31 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -46.43 -64.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -52.21 -35.76 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 10.1 mt -91.81 38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.84 162.35 28.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 t 56.65 39.82 29.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.5 pt-20 -166.62 155.47 9.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.88 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.437 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -85.02 -31.67 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.437 ' N ' ' HG2' ' A' ' 106' ' ' MET . 96.3 t -35.76 -51.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -71.02 -54.31 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' LEU . 67.3 mm-40 -47.0 -66.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.435 HD13 ' CG ' ' A' ' 106' ' ' MET . 13.7 mt -35.66 -63.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 110' ' ' LEU . 86.7 t -36.7 -57.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.8 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.45 ' CD2' ' OD1' ' A' ' 117' ' ' ASN . 87.0 t90 -46.42 -67.93 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.467 ' CD1' HD11 ' A' ' 121' ' ' ILE . 4.9 tp -53.53 -41.8 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -54.52 -27.79 40.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -94.82 -51.26 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.45 ' OD1' ' CD2' ' A' ' 113' ' ' TRP . 0.5 OUTLIER -89.28 35.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -60.95 -67.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.417 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 17.5 ptt180 -59.11 -46.92 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 120' ' ' HIS . 2.3 t60 -42.28 -46.84 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.467 HD11 ' CD1' ' A' ' 114' ' ' ILE . 78.8 mt -64.69 -64.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.46 -34.69 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 t -96.75 73.89 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -123.29 155.78 64.49 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 3.2 2.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 73.16 36.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.6 p -92.2 109.46 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -165.37 145.84 7.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 m -123.09 151.45 42.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.51 118.81 3.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -120.38 116.17 24.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -127.18 151.64 48.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.11 124.53 1.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.458 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -124.56 -17.64 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.488 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -174.97 128.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 6.0 mt-10 -72.03 -56.59 4.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.678 0.751 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.554 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.1 Cg_endo -69.77 -52.25 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.322 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.488 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 37.7 t -47.12 -45.28 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 20.5 mt-10 -61.16 -60.98 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -42.5 -48.97 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.447 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 95.3 mt -58.57 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -43.81 -56.14 4.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -47.82 -56.48 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.21 -54.17 14.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -49.86 -28.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.33 -47.03 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.485 HD13 ' CD2' ' A' ' 108' ' ' HIS . 50.2 mt -58.11 -30.8 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 24' ' ' CYS . 81.8 m-85 -99.22 -60.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.469 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.3 m 32.3 40.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' PHE . 15.0 mtp85 -106.33 153.37 40.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 105.56 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 74.77 39.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -119.23 -30.23 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.57 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 26.9 t-105 -110.56 111.53 22.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -126.47 140.5 52.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.43 ' CG2' ' HB3' ' A' ' 42' ' ' PHE . 2.4 p -127.74 106.09 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.56 -66.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.0 t -145.29 160.5 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -140.82 118.05 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.816 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.451 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 48.7 m -117.99 166.9 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.67 -54.85 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -99.35 -43.19 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 8.4 m-20 -56.3 -19.26 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.65 -163.21 12.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.0 m -145.71 126.47 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -126.98 133.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.447 ' CE2' ' CD2' ' A' ' 16' ' ' LEU . 13.4 p90 -149.26 147.58 28.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -124.91 116.59 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.57 ' CG2' ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -111.39 148.37 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.435 HG22 ' CD1' ' A' ' 60' ' ' LEU . 7.3 t -133.78 157.71 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -134.38 135.24 42.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.469 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -99.51 171.41 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.94 -9.84 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.43 -148.29 50.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -122.33 -54.02 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.435 ' O ' ' C ' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -105.39 74.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' MET . 0.1 OUTLIER 35.11 50.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.433 ' CB ' ' SD ' ' A' ' 52' ' ' MET . . . -144.69 119.37 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.1 120.49 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 30.3 mt -91.76 131.75 34.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 93.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -100.9 142.65 32.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -116.1 120.36 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' CD1' HG22 ' A' ' 46' ' ' THR . 3.8 mt -115.75 131.27 56.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.28 107.85 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CE1' HG12 ' A' ' 75' ' ' ILE . 91.2 m-85 -98.78 138.52 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -119.66 131.76 55.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.1 mt -106.32 96.75 14.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -164.69 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.3 m -94.95 -13.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.45 ' CB ' ' HB2' ' A' ' 71' ' ' CYS . 88.0 m-20 -85.09 -43.26 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.96 150.14 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.701 0.763 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.75 1.08 5.47 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.344 -0.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.478 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.3 t -78.79 44.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.45 ' HB2' ' CB ' ' A' ' 67' ' ' ASN . 5.7 t -175.27 170.8 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -93.92 131.24 32.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.4 50.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.32 92.63 0.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.557 HG12 ' CE1' ' A' ' 62' ' ' PHE . 92.1 mt -89.38 138.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -130.86 109.61 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.04 124.19 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -155.48 119.94 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 81' ' ' GLN . 1.9 t -126.06 124.62 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' GLU . 8.8 tm-20 -42.83 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 79' ' ' SER . 7.3 mm100 -87.89 -57.32 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.6 mt -57.21 175.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -117.67 178.35 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -59.65 -60.32 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.5 -56.69 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -48.49 -53.22 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' VAL . 33.3 m -51.87 -59.28 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 87' ' ' CYS . 88.5 t -37.47 -44.45 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -58.61 -50.34 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.06 -55.67 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HE2' ' CD2' ' A' ' 95' ' ' LEU . 12.4 tmtt? -48.94 -51.88 27.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.462 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 51.8 mm-40 -50.19 -44.8 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -57.85 -60.9 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.9 mp -41.47 -44.62 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.463 ' CD2' ' HE2' ' A' ' 91' ' ' LYS . 4.3 mm? -60.5 -52.42 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -48.06 -44.17 31.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' ALA . 7.6 mm100 -65.49 -53.68 39.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -35.69 -55.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -39.4 -59.29 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.3 mt -98.86 36.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.88 174.45 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t 41.98 27.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -148.34 161.39 34.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 84.98 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.443 ' O ' ' C ' ' A' ' 107' ' ' VAL . 19.9 ptp -81.59 -39.17 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 106' ' ' MET . 42.3 t -33.88 -59.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.485 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.7 t-160 -64.84 -67.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.6 mt-10 -36.73 -64.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.8 mt -38.4 -63.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.6 t -36.65 -60.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.418 HD11 ' NE2' ' A' ' 108' ' ' HIS . 45.9 mt -58.05 -45.55 86.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -49.84 -59.06 4.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.401 ' CD1' HD11 ' A' ' 121' ' ' ILE . 5.6 tp -67.08 -37.59 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -48.47 -33.07 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -104.53 -36.39 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -95.12 45.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 48' ' ' ALA . 10.4 tt -87.74 -55.24 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.56 -32.0 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -59.19 -35.39 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 114' ' ' ILE . 77.4 mt -66.57 -50.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.66 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.8 m 61.91 35.31 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -125.37 80.83 64.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.725 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 87.01 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -90.71 144.81 25.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.8 t -172.09 131.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -72.91 -56.95 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.844 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.2 m -153.04 126.87 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.19 85.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -128.29 110.35 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -44.15 137.27 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.32 -151.03 17.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.461 ' HE1' ' CG1' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -104.35 -31.86 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.83 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 8' ' ' MET . . . -134.3 159.7 40.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.466 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 15.8 mt-10 -73.25 -60.88 1.61 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.1 Cg_endo -69.71 -40.61 5.19 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.461 ' CG1' ' HE1' ' A' ' 8' ' ' MET . 92.4 t -53.44 -52.95 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -60.13 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -46.84 -46.2 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -52.36 -58.56 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -51.38 -45.57 62.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t -61.09 -61.01 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.9 t -48.0 -51.12 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.0 mt -54.11 -56.91 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -41.85 -33.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.9 -52.72 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.45 -39.29 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ARG . 48.4 m-85 -83.03 -7.06 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' ALA . 52.0 t -39.46 -25.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' PHE . 57.6 mtt180 -39.17 159.95 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.679 0.752 . . . . 0.0 110.847 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.31 4.03 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.317 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 62.97 44.47 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -128.48 -7.23 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 68.8 t-105 -127.25 105.71 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -130.14 140.47 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 p -130.08 108.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.6 mt -51.82 -61.05 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.0 t -145.98 141.44 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -133.54 113.15 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.483 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 43.5 m -106.0 167.39 9.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.42 -54.06 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.462 HG21 ' N ' ' A' ' 38' ' ' ASP . 4.6 t -111.29 -38.48 4.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.483 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 4.1 m-20 -50.82 -32.48 20.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.47 -168.7 24.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -149.15 123.89 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.1 t -131.69 145.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.8 p90 -163.41 162.52 24.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -139.14 107.19 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.512 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 2.0 pp -109.31 152.16 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -88.44 128.23 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -130.79 153.93 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -123.69 161.89 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -135.85 167.35 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLY . 10.1 mm-40 -62.75 85.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.33 151.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.35 -37.32 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 ptp -114.55 37.35 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.04 54.66 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.86 116.02 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 112.67 0.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 59.2 mt -102.38 132.47 21.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.18 15.67 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.2 mt -130.09 151.38 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.445 ' C ' ' OE1' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -117.77 107.86 14.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD22 ' CD1' ' A' ' 77' ' ' ILE . 6.0 mt -114.91 115.02 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 80.5 t -112.15 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -92.97 120.6 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.55 114.9 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 38.2 mt -95.5 104.48 15.95 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.1 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -87.62 -29.86 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 68' ' ' TYR . 40.2 m-80 -71.17 -44.55 65.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -33.18 146.32 0.1 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.713 0.768 . . . . 0.0 110.938 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.74 2.12 4.98 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.462 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.5 m -80.0 43.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 46.3 t -175.19 151.49 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.59 124.48 79.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.29 44.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.55 93.59 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.429 HG23 ' CD2' ' A' ' 94' ' ' LEU . 59.7 mt -91.11 142.56 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -130.86 146.13 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.402 ' CD1' HD22 ' A' ' 60' ' ' LEU . 30.1 mm -136.49 116.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.22 119.9 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 t -126.12 140.0 52.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.27 -33.34 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -82.08 -57.1 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 16.6 mt -43.52 164.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -107.06 155.98 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -49.38 -38.67 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.06 -45.18 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' VAL . 30.6 mt-30 -68.26 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' GLN . 20.5 p -36.17 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.497 ' N ' ' O ' ' A' ' 86' ' ' GLN . 95.4 t -79.24 -54.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -47.1 -41.36 17.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.414 ' CG1' HD13 ' A' ' 114' ' ' ILE . 61.2 t -62.21 -54.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 91' ' ' LYS . 11.1 tmtt? -54.04 -47.08 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.405 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 5.3 mm-40 -49.52 -47.01 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -59.48 -56.87 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.429 ' CD2' HG23 ' A' ' 75' ' ' ILE . 4.4 mp -39.12 -54.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.434 ' N ' HD21 ' A' ' 95' ' ' LEU . 4.6 mm? -52.24 -59.14 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -41.87 -36.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm100 -72.58 -50.05 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -35.19 -56.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -38.41 -64.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -51.45 -39.31 57.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -90.65 40.23 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.88 175.98 8.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.0 t 43.91 26.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -153.1 161.45 29.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.42 ' C ' HD13 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -90.78 -31.0 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 49.1 t -41.84 -50.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.54 ' CE1' HD11 ' A' ' 112' ' ' LEU . 18.0 t-80 -74.01 -63.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 110' ' ' LEU . 26.4 mm-40 -41.23 -62.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 106' ' ' MET . 19.1 mt -35.65 -54.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.9 t -47.41 -55.2 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.54 HD11 ' CE1' ' A' ' 108' ' ' HIS . 69.5 mt -61.73 -45.88 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -53.42 -52.79 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 115' ' ' GLN . 8.8 tp -69.07 -40.19 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.429 ' N ' HG21 ' A' ' 114' ' ' ILE . 53.5 mt-30 -46.15 -39.23 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -97.21 -41.64 8.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -88.83 41.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.8 tp -86.51 -41.84 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.3 ptt-85 -66.02 -41.34 91.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -51.0 -57.34 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.426 HD11 ' CD1' ' A' ' 114' ' ' ILE . 75.1 mt -57.93 -39.43 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.6 mt -82.15 39.7 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.0 p -88.18 -44.66 10.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -51.88 115.12 6.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.935 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 89.9 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.641 2.228 . . . . 0.0 112.299 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -83.15 83.36 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 t -162.24 135.89 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.3 p -149.74 121.75 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -156.25 119.1 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.9 74.64 1.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -123.13 43.04 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -71.41 154.66 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.63 76.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 tpt -101.13 160.14 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -54.04 166.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.9 mt-10 -71.72 -60.0 2.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.649 0.737 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.4 Cg_endo -69.75 -51.16 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 36.1 t -41.98 -50.01 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -63.0 -50.87 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -47.37 -57.23 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' SER . 30.0 tt0 -55.64 -60.07 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' GLU . 46.4 mt -34.19 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 32.9 t -85.62 -54.52 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.427 ' CG2' ' N ' ' A' ' 19' ' ' LEU . 1.2 m -51.05 -38.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' A' ' 18' ' ' VAL . 12.7 mt -66.67 -58.01 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.05 -31.33 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.2 79.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.512 HD11 ' CD2' ' A' ' 108' ' ' HIS . 18.0 mt -48.47 -53.73 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -79.6 -32.73 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.6 p 39.05 37.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -139.41 137.57 19.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -26.55 27.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.615 2.21 . . . . 0.0 112.31 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -81.66 -40.15 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -73.76 -43.2 59.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' HA ' ' CG2' ' A' ' 44' ' ' ILE . 72.0 t-105 -98.43 110.44 23.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -135.77 124.18 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 p -105.64 97.13 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -44.39 -54.15 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -152.78 132.85 13.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -122.76 121.2 35.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.427 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 2.8 m -117.67 163.9 15.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.12 -46.42 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 t -108.19 -44.42 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 5.8 t0 -50.11 -46.83 54.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.33 170.52 11.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -119.47 115.49 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.6 t -117.4 138.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.7 147.61 26.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.48 ' CG ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.84 119.74 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.425 ' CG2' ' HA ' ' A' ' 29' ' ' TRP . 2.9 pp -115.75 152.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -92.57 136.57 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.441 HG23 ' CD1' ' A' ' 60' ' ' LEU . 14.6 t -137.2 145.36 43.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -120.33 145.39 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . . . -105.87 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.94 -10.88 60.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.54 131.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -52.48 -47.44 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.3 ptm -102.29 40.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t0 58.74 46.7 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.67 110.03 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.3 114.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.419 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 23.2 mm -94.57 136.99 22.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.73 96.8 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 48' ' ' ALA . 9.7 mt -103.09 163.47 12.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE1' ' N ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -137.9 126.11 23.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.454 HD22 ' CZ ' ' A' ' 62' ' ' PHE . 6.0 mt -128.5 123.08 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.48 HG22 ' CG ' ' A' ' 43' ' ' ARG . 89.7 t -119.86 109.12 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.533 ' CD2' HG11 ' A' ' 107' ' ' VAL . 95.6 m-85 -104.51 140.55 37.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -124.8 123.09 39.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.7 mt -105.35 96.6 11.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.409 HG22 ' N ' ' A' ' 67' ' ' ASN . 18.6 m -87.41 -29.53 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -75.57 -40.99 55.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.561 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -41.88 145.77 0.68 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.94 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.77 -13.73 12.44 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.376 -0.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' PRO . 5.6 t -34.17 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.64 173.47 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.29 131.33 38.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 140.12 41.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.84 112.48 4.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.488 HG12 ' CD1' ' A' ' 62' ' ' PHE . 55.0 mt -110.61 141.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -137.73 138.08 38.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.9 mm -129.0 121.91 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.95 119.76 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.3 t -126.21 140.69 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.52 -26.58 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -89.98 -61.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.3 mt -38.92 152.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 p -102.84 155.45 18.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' NH1' ' HB2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -42.74 -45.59 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.1 97.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' VAL . 92.0 mt-30 -72.55 -64.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 86' ' ' GLN . 12.8 p -35.98 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.498 ' N ' ' O ' ' A' ' 86' ' ' GLN . 95.0 t -80.55 -51.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -49.71 -47.96 50.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.69 -54.14 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -56.58 -58.62 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 18.6 mm-40 -40.13 -55.66 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -52.06 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.86 -49.51 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.46 -50.77 70.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -52.69 -47.83 66.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm-40 -62.6 -48.72 78.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -36.53 -59.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ALA . 8.7 mt-10 -36.73 -65.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.6 m -48.02 -31.54 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' ALA . 10.6 mt -96.03 36.23 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.401 ' O ' ' OE2' ' A' ' 104' ' ' GLU . 8.6 mt -70.65 159.79 33.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m 57.44 44.96 20.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.9 pt-20 -173.48 156.76 2.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 87.33 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.459 ' SD ' ' CB ' ' A' ' 98' ' ' ALA . 22.5 ptp -80.08 -40.89 26.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.533 HG11 ' CD2' ' A' ' 62' ' ' PHE . 59.4 t -33.61 -55.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.512 ' CD2' HD11 ' A' ' 22' ' ' ILE . 14.0 t-160 -64.4 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -39.41 -59.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.4 mt -44.84 -58.52 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.5 t -39.81 -44.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.66 -43.44 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.451 ' CH2' HD12 ' A' ' 121' ' ' ILE . 45.9 t90 -54.99 -52.68 62.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.452 HD11 ' CD1' ' A' ' 121' ' ' ILE . 7.5 tp -66.66 -44.02 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -45.19 -44.42 10.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.12 -46.16 9.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.48 38.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -39.86 67.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -84.43 -41.18 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -51.41 -33.82 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.452 ' CD1' HD11 ' A' ' 114' ' ' ILE . 96.5 mt -75.09 -48.73 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 123' ' ' SER . 10.0 mp -66.82 -60.32 2.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' LEU . 38.1 m -34.24 -56.41 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -65.67 143.67 98.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.03 17.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -118.98 162.9 17.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.4 m -83.39 127.8 33.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -87.17 94.08 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -59.94 -46.2 90.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.99 -94.73 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -170.18 157.85 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -121.97 99.43 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.77 68.38 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mmt -139.11 167.57 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -124.89 135.72 53.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.637 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.4 mt-10 -61.41 -51.96 73.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.637 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.7 Cg_endo -69.73 -21.65 33.33 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 38.8 t -83.56 -38.41 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -78.94 -55.07 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -47.26 -31.16 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -74.35 -47.62 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.63 -28.78 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -87.2 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -40.63 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.9 mt -83.12 -48.85 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.5 -26.28 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -57.45 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.98 -45.94 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.59 -4.18 57.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -39.12 -31.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -43.28 154.31 0.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.87 16.64 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 7.2 m170 65.37 41.11 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -131.0 -32.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 53.2 t-105 -105.52 104.12 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -126.07 106.96 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' CG2' ' HB3' ' A' ' 42' ' ' PHE . 4.1 p -104.96 103.09 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -40.67 -57.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -156.36 152.2 27.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.57 111.49 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.441 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 46.5 m -121.97 164.97 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -83.72 -50.38 8.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.462 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -105.35 -39.6 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 1.0 OUTLIER -59.34 -14.28 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.9 168.43 28.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.4 m -124.57 125.33 44.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.77 129.52 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.453 ' HB3' ' CG2' ' A' ' 31' ' ' VAL . 5.8 p90 -147.4 160.48 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -139.74 132.08 28.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' A' ' 44' ' ' ILE . 2.3 pp -129.3 146.21 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -89.48 123.83 33.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -129.33 152.57 48.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -127.08 132.74 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 58' ' ' LEU . . . -100.85 177.71 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.34 -9.8 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.514 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 51.97 -126.54 30.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 27.3 m-85 -148.99 116.84 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 ttm 73.12 52.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 53.39 29.75 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.59 101.54 9.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.38 135.72 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 67.5 mt -118.22 132.39 23.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 116.91 4.78 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.409 ' CD1' ' HB1' ' A' ' 48' ' ' ALA . 25.6 mt -117.52 132.48 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -110.8 100.63 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.6 mt -102.64 118.46 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -113.5 105.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -96.78 126.93 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -117.21 115.57 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.07 105.78 19.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 37' ' ' THR . 5.6 m -97.71 -9.9 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -94.54 -37.43 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -41.92 149.81 0.4 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.71 -14.91 12.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.339 -0.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' PRO . 14.6 t -34.4 -46.62 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 t -106.71 167.36 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.56 138.08 36.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.898 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.66 65.42 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.67 106.32 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.409 ' HB ' ' CD2' ' A' ' 95' ' ' LEU . 31.8 mt -104.47 141.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 t -142.85 121.37 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.69 118.07 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -148.55 120.0 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 t -125.87 148.62 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.9 -26.57 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -87.71 -58.17 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.7 140.12 19.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.4 p -84.12 156.44 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 18.9 ttp-105 -43.07 -41.2 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.42 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -74.98 -64.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 p -39.92 -29.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 86' ' ' GLN . 41.6 t -75.27 -52.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.4 m -47.09 -57.72 4.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -46.49 -65.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 12.6 tmtt? -45.25 -50.34 11.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.444 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 13.3 mt-10 -51.35 -33.96 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -73.61 -54.49 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.64 -52.4 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.409 ' CD2' ' HB ' ' A' ' 75' ' ' ILE . 4.4 mm? -51.59 -52.42 47.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -50.23 -44.2 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -62.83 -51.15 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.66 -58.93 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 t -64.7 -30.25 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.7 34.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.12 176.22 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 44.17 31.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -162.26 160.47 21.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 105.96 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -100.17 -24.61 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.6 t -44.55 -46.39 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.47 ' CE1' HD11 ' A' ' 112' ' ' LEU . 9.5 t-80 -76.42 -65.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -37.9 -53.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 45.1 mt -48.51 -46.36 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 39.3 t -58.83 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.47 HD11 ' CE1' ' A' ' 108' ' ' HIS . 51.6 mt -53.01 -24.65 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.444 ' O ' ' CG ' ' A' ' 117' ' ' ASN . 46.6 t90 -69.77 -67.54 0.48 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 115' ' ' GLN . 3.2 tp -60.89 -51.72 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.426 ' N ' ' CG2' ' A' ' 114' ' ' ILE . 16.4 mm100 -47.42 -24.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -98.1 -38.55 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 113' ' ' TRP . 0.9 OUTLIER -119.59 55.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 6.1 tt -82.52 -43.98 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -55.94 -42.89 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -45.56 -57.55 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.6 mt -58.55 -43.72 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 20.6 mt -83.67 35.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.6 t -99.32 -45.1 5.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -89.99 143.91 30.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.6 17.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -124.64 121.14 33.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -158.05 151.08 22.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.533 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -155.96 168.14 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -155.89 173.2 17.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.0 105.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -146.6 148.29 31.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -47.16 173.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.41 118.36 2.89 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mmt -95.92 150.37 20.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.432 ' C ' ' HD2' ' A' ' 11' ' ' PRO . . . -61.54 136.2 57.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.611 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.6 mt-10 -37.95 -53.26 2.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.85 -50.89 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 68' ' ' TYR . 10.3 t -43.9 -22.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' PRO . 8.6 tt0 -88.02 -55.69 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.65 -32.29 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -47.38 81.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.21 -42.73 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.1 p -75.05 -63.45 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -44.62 -55.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.9 mt -49.93 -33.55 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -64.02 -29.41 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.38 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.72 -41.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' ARG . 23.8 m-85 -92.6 -0.25 57.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' ALA . 6.8 t -35.12 -32.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 23' ' ' PHE . 13.8 mmm180 -36.72 150.22 0.14 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 129.8 18.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 62.2 43.4 8.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -132.45 -32.76 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.476 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 33.3 t-105 -103.03 118.24 36.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -138.95 137.72 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -115.9 96.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.2 mt -38.03 -67.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -163.02 157.48 20.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -130.16 113.47 14.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 2.6 m -100.03 159.8 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.55 -44.96 12.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 38' ' ' ASP . 9.2 t -97.83 -49.37 4.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.468 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 6.3 m-20 -55.84 -37.27 68.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.42 178.86 15.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.485 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.0 m -97.5 129.82 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.92 144.33 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -163.68 146.32 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HG3' ' CD ' ' A' ' 59' ' ' GLU . 34.5 ttm180 -123.53 118.89 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.476 ' CG2' ' CE3' ' A' ' 29' ' ' TRP . 2.7 pp -124.26 151.26 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 58' ' ' LEU . 3.9 t-80 -104.07 130.1 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -124.29 163.58 21.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 12.3 pttp -131.29 124.61 30.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 50' ' ' GLY . . . -102.04 159.6 15.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -58.69 85.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.18 144.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 119' ' ' ARG . 12.0 m-85 -52.58 -18.22 1.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 ptp -120.88 34.36 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 55.73 53.16 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.91 119.79 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.52 134.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 30.4 mt -121.08 138.52 27.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.81 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.579 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 8.5 mt -128.95 133.58 47.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' OE2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -111.32 114.22 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 7.0 mt -116.45 128.52 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.487 ' CG2' ' OE2' ' A' ' 59' ' ' GLU . 20.9 t -127.06 101.16 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.558 ' CD2' HG13 ' A' ' 107' ' ' VAL . 84.3 m-85 -93.23 145.21 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -127.34 111.43 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt -102.91 96.5 7.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -168.33 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.635 2.223 . . . . 0.0 112.369 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.5 m -86.94 -17.03 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 70' ' ' SER . 29.7 m-20 -80.7 -44.47 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.63 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -47.36 149.22 1.96 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.539 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.7 -14.88 12.42 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' PRO . 1.4 t -34.38 -45.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 98.0 m -112.96 154.4 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.78 137.83 87.94 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 175.39 8.14 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.35 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.2 84.21 0.4 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.6 mt -73.43 143.55 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -137.3 121.38 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 94' ' ' LEU . 42.8 mm -116.74 117.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.66 119.97 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.8 t -126.03 139.19 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.42 -25.83 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -88.96 -52.26 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.64 149.03 40.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.6 p -86.16 -178.65 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -66.24 -55.74 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.32 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -68.59 -63.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 88' ' ' VAL . 1.4 p -45.63 -44.56 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.497 ' N ' ' SG ' ' A' ' 87' ' ' CYS . 89.3 t -60.51 -43.61 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.4 m -58.76 -48.54 80.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.1 t -54.95 -60.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.0 tttt -47.66 -58.8 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.41 -43.78 16.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -63.38 -59.93 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 77' ' ' ILE . 24.1 mt -40.6 -44.3 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 95' ' ' LEU . 4.3 mm? -51.22 -64.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -40.59 -57.6 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -48.3 -57.69 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' LEU . 30.6 mt-10 -39.98 -68.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.4 t -45.51 -32.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.5 30.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.1 mt -66.84 173.68 3.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 7.1 m 40.73 25.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 102' ' ' LEU . 4.3 mt-10 -150.06 161.44 31.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 114.09 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.435 ' HB2' ' CD1' ' A' ' 110' ' ' LEU . 16.9 ptp -111.74 -45.53 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.558 HG13 ' CD2' ' A' ' 62' ' ' PHE . 38.6 t -35.27 -44.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -74.88 -65.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.0 mm-40 -46.23 -60.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 106' ' ' MET . 53.9 mt -35.21 -56.19 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 66.6 t -48.68 -58.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.53 -32.46 68.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.562 ' CH2' HD12 ' A' ' 121' ' ' ILE . 61.4 t90 -68.02 -45.79 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 8.0 tp -74.93 -31.7 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' A' ' 47' ' ' LYS . 4.2 mm100 -65.15 -27.72 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -101.82 -39.78 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -97.32 39.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.12 -52.63 13.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.435 ' CZ ' ' HB2' ' A' ' 119' ' ' ARG . 3.9 ptm85 -64.36 -40.97 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -55.05 -44.85 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.562 HD12 ' CH2' ' A' ' 113' ' ' TRP . 77.7 mt -74.45 -41.92 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' N ' HD13 ' A' ' 122' ' ' LEU . 10.0 mp -84.18 36.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.7 t -112.68 60.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -129.5 143.57 49.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 97.86 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -104.76 149.33 25.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 29.3 m -140.45 109.96 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -57.32 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -130.83 156.88 44.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 -107.3 1.51 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 p -144.68 166.93 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -105.3 -49.35 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.88 70.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -142.02 175.01 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.309 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 12' ' ' VAL . . . -61.06 171.07 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.483 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.5 mt-10 -65.99 -60.06 7.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.1 Cg_endo -69.74 -24.36 29.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 9' ' ' ALA . 22.7 t -78.12 -21.62 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -90.28 -47.68 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.1 pp20? -51.82 -40.06 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 16' ' ' LEU . 14.9 tt0 -60.19 -68.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 15' ' ' GLU . 75.6 mt -33.73 -38.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' GLU . 16.3 t -79.81 -51.09 9.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 14' ' ' GLU . 46.4 t -51.67 -34.59 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.16 -44.85 90.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.61 -22.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.11 -50.95 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 108' ' ' HIS . 73.0 mt -43.93 -45.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -85.66 -51.62 6.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.9 t 39.03 34.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -104.06 147.32 34.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.818 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.48 7.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 60.9 33.77 19.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -112.59 -18.45 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.492 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 33.1 t-105 -113.29 110.12 19.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -127.52 132.64 49.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.9 t -117.36 102.58 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.0 -64.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -161.45 154.57 21.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -127.16 110.09 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.444 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 35.6 m -121.9 151.48 40.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -81.03 -65.4 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.8 t -67.91 -49.95 58.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 2.5 t70 -64.03 -32.06 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.93 165.75 17.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.8 m -97.16 126.4 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.69 146.41 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -162.83 161.58 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 12.2 ttt85 -139.93 110.91 6.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.492 ' CG2' ' CE3' ' A' ' 29' ' ' TRP . 2.4 pp -112.14 150.2 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -96.07 130.24 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.4 t -132.92 158.15 43.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -130.55 134.19 46.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' CB ' HD11 ' A' ' 118' ' ' LEU . . . -98.81 -177.3 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.73 -6.1 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.54 -160.73 53.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -112.3 -52.5 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.342 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.8 ptm -99.11 39.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 64.26 42.18 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.44 118.48 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -47.09 127.49 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 47.9 mm -108.94 138.66 20.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.4 Cg_endo -69.79 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 59.0 tp -99.71 141.27 32.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -122.9 124.7 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.81 125.73 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.2 t -116.13 104.45 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -97.28 150.48 20.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -136.47 120.44 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mt -104.17 96.6 9.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -164.8 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.4 m -85.33 -39.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' SER . 6.5 m120 -67.62 -41.41 84.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.649 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.69 150.12 0.73 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.692 0.758 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.73 -8.48 10.47 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.363 -0.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 3.1 t -37.53 -46.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.6 t -107.32 162.54 13.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.44 133.95 86.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 157.65 59.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.376 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.32 91.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.19 143.86 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -138.76 143.87 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -128.14 113.1 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -156.74 119.98 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -125.99 155.41 41.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.83 -13.49 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' LEU . 7.5 mt-30 -103.4 -73.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' GLN . 68.6 mt -37.42 153.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 p -100.84 -179.61 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -58.07 -58.38 8.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.72 -61.32 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -43.06 -47.34 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.4 m -55.99 -56.91 15.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.7 t -40.47 -44.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.8 m -64.57 -66.03 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.0 t -39.9 -52.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 94' ' ' LEU . 44.4 tttt -60.97 -57.93 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -45.13 -24.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -85.38 -32.41 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 91' ' ' LYS . 4.1 mp -71.3 -35.99 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.52 -53.18 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.42 ' HG3' ' NE2' ' A' ' 97' ' ' GLN . 6.5 pt-20 -52.55 -37.44 57.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 1.9 mp0 -71.63 -43.83 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.18 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.15 -64.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 t -51.34 -34.4 33.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 mt -89.55 25.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.4 mt -62.05 171.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t 40.89 25.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 102' ' ' LEU . 10.4 mt-10 -147.09 159.44 42.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.431 ' CB ' ' OE2' ' A' ' 15' ' ' GLU . 53.7 Cg_endo -69.76 82.88 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 20.7 ptp -81.51 -23.94 37.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 66.0 t -52.77 -49.45 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 22' ' ' ILE . 6.8 t-80 -71.85 -63.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -42.15 -59.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.9 mt -39.33 -50.65 2.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 80.6 t -52.64 -43.99 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -80.92 -10.69 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.551 ' CH2' HD11 ' A' ' 121' ' ' ILE . 47.6 t90 -81.57 -58.58 2.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.45 ' N ' ' CE3' ' A' ' 113' ' ' TRP . 6.4 tp -60.54 -46.47 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -37.84 -39.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -97.65 -38.62 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.432 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 15.0 m-80 -93.24 44.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 48' ' ' ALA . 7.3 tt -97.3 -34.43 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -90.18 -52.42 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -45.4 -38.51 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.551 HD11 ' CH2' ' A' ' 113' ' ' TRP . 67.0 mt -67.85 -47.44 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.5 mt -85.05 30.91 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 t -49.15 -50.44 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -97.62 144.43 27.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 144.93 55.64 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -109.47 128.59 55.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.1 m -63.77 -53.48 50.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 3' ' ' SER . 7.4 t -126.6 140.64 52.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.886 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 2' ' ' SER . 16.2 t -36.86 141.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 -71.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 38.9 m -57.39 -51.34 69.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 20.4 m -37.24 146.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.61 -92.44 0.52 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.5 ttp -133.44 -68.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -146.72 132.92 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.555 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.8 mm-40 -73.32 -56.42 3.2 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.729 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.6 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 40.1 t -52.07 -56.73 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.471 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 8.3 pt20 -52.47 -37.36 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.471 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 46.3 mt-10 -65.01 -48.11 75.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 -52.24 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.468 HD21 ' CE2' ' A' ' 42' ' ' PHE . 61.3 mt -55.19 -42.68 73.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.1 t -68.35 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 73.1 t -39.66 -50.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.39 -44.68 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -52.07 -29.17 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.17 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mt -65.54 -53.76 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.559 ' CE1' HD12 ' A' ' 44' ' ' ILE . 49.5 m-85 -76.19 -3.6 37.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' ALA . 38.9 t -37.46 -32.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' PHE . 22.1 mmt85 -37.68 147.57 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.85 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 129.08 16.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 69.36 38.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -132.3 -41.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.6 ' CE3' ' CG2' ' A' ' 44' ' ' ILE . 60.8 t-105 -97.86 130.71 44.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.94 136.86 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.3 t -123.89 99.09 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.8 mt -41.71 -69.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -139.23 150.39 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.3 ptt85 -142.01 118.12 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -117.91 163.82 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.505 ' O ' ' CG2' ' A' ' 37' ' ' THR . 23.6 tt0 -65.53 83.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 36' ' ' GLU . 15.3 t 46.23 38.47 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.406 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 6.0 t0 -112.95 -30.61 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.84 74.84 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.546 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.6 m -89.12 132.09 34.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.166 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.2 t -131.43 129.31 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.468 ' CE2' HD21 ' A' ' 16' ' ' LEU . 29.6 p90 -142.46 143.41 32.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.494 ' CG ' ' O ' ' A' ' 43' ' ' ARG . 27.5 ptt180 -131.95 114.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.6 ' CG2' ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -102.46 143.63 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -84.84 111.22 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.412 ' HB ' ' CD1' ' A' ' 44' ' ' ILE . 5.8 t -127.19 165.03 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -133.7 149.88 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -105.86 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.84 -15.03 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.605 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 67.06 -125.19 24.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 14.7 m-85 -157.65 128.7 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' PHE . 24.4 ptm 47.45 51.18 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 62.52 47.84 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -135.01 85.86 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 126.98 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 68.8 mt -112.21 138.68 21.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 54.1 Cg_endo -69.72 145.52 57.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 tp -151.46 136.67 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -120.18 100.79 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 77' ' ' ILE . 5.5 mt -91.97 115.87 28.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.0 t -108.05 102.98 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CD2' HG11 ' A' ' 107' ' ' VAL . 87.2 m-85 -98.48 128.06 44.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -107.68 119.81 40.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.9 mt -100.35 99.66 10.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.27 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' CG1' ' HA ' ' A' ' 38' ' ' ASP . 34.9 m -94.81 -28.75 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.19 -40.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.655 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.01 150.02 0.27 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.674 0.75 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.77 -7.82 10.2 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -38.73 -46.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -103.81 172.71 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.97 135.46 37.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.92 41.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.11 100.4 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.37 133.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 t -136.15 128.93 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' A' ' 60' ' ' LEU . 43.4 mm -112.25 130.58 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -155.15 119.8 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 t -126.12 153.11 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -69.57 -23.5 63.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -96.71 -62.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.9 mt -50.33 146.31 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.7 p -95.25 -178.89 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -55.52 -36.65 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.32 60.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.451 ' HG3' ' CD2' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -65.24 -26.16 67.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 76.9 m -87.59 -57.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.9 -34.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 97.8 m -72.84 -69.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 114' ' ' ILE . 85.7 t -37.12 -39.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -69.92 -65.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.37 -43.08 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.455 HD22 ' CZ3' ' A' ' 113' ' ' TRP . 11.0 mt -54.33 -44.51 72.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.62 -45.87 48.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -56.5 -53.01 62.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.545 ' OE1' ' CD2' ' A' ' 113' ' ' TRP . 23.1 mt-30 -57.45 -48.6 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -43.13 -61.42 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -55.09 -33.32 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -96.55 39.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' GLU . 11.8 mt -74.58 178.95 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' LEU . 7.5 t 37.76 29.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' LEU . 6.0 mm-40 -154.92 160.62 30.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.427 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -93.45 -32.61 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.549 HG11 ' CD2' ' A' ' 62' ' ' PHE . 61.2 t -38.47 -51.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.8 t-80 -71.51 -64.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' HIS . 14.2 mm-40 -36.09 -55.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 113' ' ' TRP . 14.9 mt -48.21 -62.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 110' ' ' LEU . 71.7 t -35.84 -47.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.52 -40.98 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.545 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 67.7 t90 -57.38 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.463 ' CD1' HG13 ' A' ' 90' ' ' VAL . 6.5 tp -69.37 -47.82 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.437 ' N ' HG21 ' A' ' 114' ' ' ILE . 44.4 mt-30 -39.82 -35.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -99.64 -44.26 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.84 37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 48' ' ' ALA . 2.4 tt -85.38 -40.59 16.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -79.18 -41.45 28.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.18 -35.17 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -73.25 -51.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 86' ' ' GLN . 8.0 mt -59.2 -55.58 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' LEU . 52.2 m -34.52 -47.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -48.94 133.13 14.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 84.93 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -113.63 118.72 35.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 77.3 p -132.04 102.01 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -68.84 92.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 t -111.4 128.17 55.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.97 -139.03 4.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -139.96 161.99 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p 43.48 43.1 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.76 169.75 52.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.8 ttp -68.19 -64.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -161.19 159.15 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.605 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 9.8 mt-10 -87.91 -68.85 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.738 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.6 Cg_endo -69.72 -49.11 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 95.5 t -49.65 -49.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -63.15 -51.65 65.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -52.97 -61.0 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -39.91 -48.2 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.7 mt -62.2 -49.51 75.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -59.14 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -39.03 -51.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD11 ' CG1' ' A' ' 107' ' ' VAL . 10.7 mt -65.74 -55.19 18.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.93 -22.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -80.31 -48.28 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -55.54 -53.96 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.437 ' O ' ' C ' ' A' ' 24' ' ' CYS . 80.5 m-85 -72.81 -50.34 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 21.4 p 35.47 40.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -141.37 131.31 12.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.71 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -2.8 10.75 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -108.74 -36.38 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -82.77 -50.99 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.426 ' HB2' ' CB ' ' A' ' 23' ' ' PHE . 44.1 t-105 -98.05 110.7 23.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -134.16 131.84 39.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 p -113.68 126.52 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.32 -59.34 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -158.96 133.66 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.25 132.64 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.424 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -119.32 161.58 20.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.3 -41.23 72.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' GLY . 3.9 t -127.97 -44.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.424 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 2.7 t70 -36.65 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 37' ' ' THR . . . 121.45 152.93 8.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 34.4 m -108.91 120.86 43.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 111.131 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 68.0 t -124.59 128.48 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -146.54 143.32 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.2 ttm180 -120.18 100.94 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.509 ' C ' ' CD1' ' A' ' 44' ' ' ILE . 1.7 pp -100.95 147.31 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -97.3 137.07 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.5 t -139.07 158.5 44.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -132.62 145.42 51.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.94 -175.83 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.74 -13.29 61.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 56' ' ' ILE . . . 60.27 128.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.46 ' CZ ' ' HG ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -44.07 -42.9 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.2 tpp -101.39 48.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.98 46.82 2.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.38 112.99 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -38.85 115.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.468 ' CD1' ' HA2' ' A' ' 50' ' ' GLY . 59.2 mt -93.98 132.7 28.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 79' ' ' SER . 53.6 Cg_endo -69.81 101.4 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 22.2 mt -109.02 142.91 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 mt -98.22 109.64 22.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 84.2 t -112.48 101.11 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.514 ' CD2' HG12 ' A' ' 107' ' ' VAL . 60.0 m-85 -94.6 125.14 39.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -108.7 113.86 27.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.9 mt -89.16 111.52 45.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -164.32 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.67 -36.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' TYR . 11.8 t-20 -73.26 -35.48 66.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.66 149.94 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.558 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.75 2.78 4.67 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.356 -0.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.497 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 58.0 m -75.73 46.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 t -174.76 170.26 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -96.67 124.51 50.24 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 140.81 43.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.04 96.54 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.472 HD11 ' CD2' ' A' ' 95' ' ' LEU . 33.5 mt -88.58 140.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.2 m -142.37 139.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 94' ' ' LEU . 25.7 mm -131.12 125.17 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.58 119.73 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 13.6 t -126.23 155.68 41.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.39 -41.15 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.462 ' CD ' HG21 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -80.8 -35.92 32.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 81' ' ' GLN . 22.9 mt -57.68 157.2 7.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -119.48 159.54 24.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.69 -32.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.29 -64.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.4 ' CB ' HD23 ' A' ' 82' ' ' LEU . 55.8 mt-30 -55.02 -54.23 45.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.8 p -43.39 -27.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 74.6 t -85.42 -49.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.409 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 90.2 m -54.01 -39.87 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -66.22 -45.64 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.34 -58.92 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.463 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 25.3 pt-20 -42.98 -43.72 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 57.3 mmtt -60.74 -59.53 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.459 ' CD1' ' CD1' ' A' ' 77' ' ' ILE . 18.4 mt -39.01 -55.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.472 ' CD2' HD11 ' A' ' 75' ' ' ILE . 20.8 mt -50.89 -56.71 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.63 -48.74 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.54 -43.97 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -42.32 -51.98 4.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -40.13 -57.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.8 t -57.4 -30.62 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.4 mt -97.04 34.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 104' ' ' GLU . 12.2 mt -69.84 177.05 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' LEU . 58.1 m 36.65 33.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' LEU . 3.4 mp0 -153.25 161.31 29.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 93.19 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.8 ptp -93.57 -42.06 9.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.514 HG12 ' CD2' ' A' ' 62' ' ' PHE . 69.4 t -33.79 -39.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' GLU . 13.0 t-160 -82.53 -70.89 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' HIS . 16.8 mt-10 -37.11 -53.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.465 HD11 ' CE1' ' A' ' 62' ' ' PHE . 72.0 mt -44.48 -53.65 6.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.0 t -52.41 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.2 mt -57.24 -23.64 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -77.61 -40.41 42.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.457 ' CD1' HD13 ' A' ' 121' ' ' ILE . 7.2 tp -79.2 -20.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 47' ' ' LYS . 3.2 mm100 -78.09 -24.5 47.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -104.85 -45.38 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -89.46 33.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 119' ' ' ARG . 12.6 tp -68.75 -64.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -36.96 -72.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 123' ' ' SER . 36.8 t60 -35.07 -69.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.457 HD13 ' CD1' ' A' ' 114' ' ' ILE . 94.3 mt -39.6 -45.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.46 ' HG ' ' CZ ' ' A' ' 51' ' ' PHE . 4.2 mm? -66.5 -33.79 76.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 120' ' ' HIS . 46.7 m -54.53 -48.92 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 4.1 pt20 34.88 52.62 1.43 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 124' ' ' GLN . 53.4 Cg_endo -69.78 3.36 2.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -84.46 92.99 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.9 p -48.44 -51.43 26.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -61.7 130.07 44.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -54.42 121.12 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.63 -127.45 3.01 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -70.18 -51.35 31.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -81.62 117.94 22.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.47 -137.47 7.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -132.77 -34.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -164.45 -176.53 4.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.109 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.655 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 11.8 mm-40 -135.0 -71.56 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.684 0.754 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.655 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.78 -38.77 7.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.92 -43.68 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.34 -51.88 57.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -54.65 -40.87 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.13 -37.1 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.25 -53.87 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -49.71 -30.79 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.9 t -78.37 -52.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.487 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 14.3 mt -57.9 -55.47 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.43 -19.0 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.61 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -46.24 -44.44 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -95.25 -59.93 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.2 t 51.99 26.47 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -109.74 137.97 20.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.698 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.74 3.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -127.8 -60.6 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -61.81 -11.0 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE3' HG21 ' A' ' 44' ' ' ILE . 11.1 t-105 -145.7 114.32 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -113.48 110.7 33.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -44.76 -64.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 m -144.54 167.67 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.1 mtp-105 -141.37 125.88 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -117.39 153.61 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.524 ' O ' ' CG2' ' A' ' 37' ' ' THR . 21.4 mm-40 -77.34 97.24 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.524 ' CG2' ' O ' ' A' ' 36' ' ' GLU . 13.8 t 46.56 39.49 6.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.41 -32.69 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.18 97.19 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.7 m -92.14 124.35 36.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.146 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.96 123.32 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -142.75 137.66 29.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.3 ttp180 -116.97 114.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.569 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 pp -118.9 147.94 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.421 ' NE2' ' OE1' ' A' ' 59' ' ' GLU . 26.1 m80 -102.19 140.23 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.408 ' HG1' ' N ' ' A' ' 47' ' ' LYS . 8.1 t -136.91 157.74 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' N ' ' HG1' ' A' ' 46' ' ' THR . 15.4 pttm -116.32 150.37 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.81 174.31 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.83 -0.54 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.12 -146.49 36.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.474 ' CD2' ' HD2' ' A' ' 119' ' ' ARG . 9.2 m-85 -120.23 -41.36 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ASP . 8.4 ttm -125.64 78.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' MET . 4.1 m-20 36.86 47.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.35 112.08 7.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 130.82 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.433 ' CG2' ' HD2' ' A' ' 57' ' ' PRO . 67.5 mt -107.75 137.19 19.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.667 0.746 . . . . 0.0 111.126 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 102.98 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 30.3 tp -106.06 140.61 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 60' ' ' LEU . 9.2 tp10 -122.94 131.38 53.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.498 HD23 ' CZ ' ' A' ' 62' ' ' PHE . 4.4 mt -130.93 117.44 19.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.11 107.72 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.562 ' CD2' HG11 ' A' ' 107' ' ' VAL . 77.2 m-85 -105.49 150.26 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -132.79 123.55 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mt -102.5 96.7 7.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.47 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.86 -38.06 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' TYR . 10.3 m120 -66.16 -44.47 84.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -37.36 145.96 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.754 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 3.05 4.51 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.344 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.47 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.6 44.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 t -175.45 155.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.6 mt -84.35 121.86 75.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.568 0.699 . . . . 0.0 110.948 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 145.88 58.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.01 109.71 2.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 76' ' ' SER . 22.9 mt -101.64 137.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.146 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.4 ' N ' HG21 ' A' ' 75' ' ' ILE . 5.0 t -138.58 123.95 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.7 mm -112.51 130.2 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -155.51 120.27 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -124.62 157.06 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.76 -15.18 49.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -101.89 -56.79 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.6 mt -53.72 151.09 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.8 p -91.66 158.91 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -43.07 -55.83 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.69 -68.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -41.1 -58.28 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.9 t -42.4 -61.32 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.9 t -41.3 -53.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.9 m -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.87 -54.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' GLU . 42.1 tttt -55.46 -62.21 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' LYS . 48.3 mt-10 -35.84 -51.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -57.57 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.425 HD21 ' CZ3' ' A' ' 113' ' ' TRP . 26.1 mt -40.39 -60.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' ALA . 4.4 mm? -43.26 -64.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -35.71 -56.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.58 -39.25 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -50.12 -57.04 8.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -41.7 -60.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.0 m -63.08 -21.29 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.5 mt -93.01 27.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.7 mt -67.28 178.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 43.79 26.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.485 ' CG ' ' HD2' ' A' ' 105' ' ' PRO . 7.1 tt0 -155.09 141.48 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.485 ' HD2' ' CG ' ' A' ' 104' ' ' GLU . 54.1 Cg_endo -69.72 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.7 ptp -71.03 -31.1 67.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.562 HG11 ' CD2' ' A' ' 62' ' ' PHE . 72.0 t -35.44 -49.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -72.85 -52.04 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -49.74 -65.98 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' TRP . 23.3 mt -34.44 -62.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' LEU . 98.8 t -36.7 -45.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.56 -35.32 58.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' ' 110' ' ' LEU . 55.8 t90 -61.55 -57.79 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 115' ' ' GLN . 5.6 tp -60.7 -49.35 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 114' ' ' ILE . 36.0 mt-30 -34.35 -36.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ILE . 8.9 mm100 -101.97 -43.75 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.467 ' O ' ' CD1' ' A' ' 121' ' ' ILE . 27.5 m-80 -83.74 39.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.6 tt -91.5 -38.71 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.474 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.6 ttt-85 -84.51 -46.1 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -48.58 -44.82 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' A' ' 117' ' ' ASN . 74.9 mt -65.83 -39.8 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.84 37.66 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 t -104.53 40.02 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -112.04 156.74 41.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 163.04 39.74 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -83.49 97.44 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.7 m -71.63 122.17 20.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -70.92 -57.74 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.1 pt-20 -54.96 -42.03 71.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 35.3 tp10 -62.0 -30.5 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.52 -51.56 9.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -63.65 -54.08 41.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 14' ' ' GLU . 9.5 p -45.9 -28.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -75.78 -37.29 59.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -12.62 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.46 9.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.642 ' CE3' HG21 ' A' ' 44' ' ' ILE . 66.4 t-105 -109.01 110.39 21.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -138.18 129.57 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -114.85 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -48.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -147.39 129.1 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.584 ' CB ' HG23 ' A' ' 40' ' ' THR . 1.5 ppt_? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 34' ' ' ARG . 15.0 m -144.79 115.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.149 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -119.15 128.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' HZ ' HG11 ' A' ' 107' ' ' VAL . 25.5 p90 -145.96 144.9 30.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.508 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.5 tmt_? -121.72 113.6 19.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.642 HG21 ' CE3' ' A' ' 29' ' ' TRP . 1.4 pp -115.64 137.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -91.13 134.74 34.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.503 HG21 HD12 ' A' ' 60' ' ' LEU . 9.0 t -130.67 158.07 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -135.42 133.57 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HB2' HE21 ' A' ' 115' ' ' GLN . . . -98.29 -175.64 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -84.41 22.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 40.43 -155.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -105.97 -25.64 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.905 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.12 72.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 44.38 27.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.5 157.59 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.57 121.43 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.85 129.25 26.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.04 4.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.1 mt -117.26 144.7 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.76 107.13 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.582 HD22 ' CZ ' ' A' ' 62' ' ' PHE . 4.0 mt -113.58 107.36 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.508 HG22 ' CG ' ' A' ' 43' ' ' ARG . 55.8 t -106.78 101.85 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.934 ' CD2' HG13 ' A' ' 107' ' ' VAL . 60.7 m-85 -95.89 132.59 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.75 130.42 54.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 3.0 mt -106.0 96.55 13.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.3 Cg_endo -69.8 -176.17 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 m -80.01 -24.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 70' ' ' SER . 3.9 m120 -81.23 -36.43 30.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.559 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -44.5 146.94 1.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.929 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.3 Cg_endo -69.8 -14.33 12.55 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.304 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 4.7 t -35.1 -44.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.9 t -105.39 155.66 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.54 141.11 68.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.34 62.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.49 100.85 2.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.484 HG12 ' CE1' ' A' ' 62' ' ' PHE . 30.1 mt -97.1 141.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.2 t -137.66 109.25 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mm -94.22 131.91 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -154.87 119.96 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 t -126.05 134.0 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.31 -20.55 65.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -90.49 -60.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.08 164.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.5 p -88.23 -177.72 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -70.19 -29.75 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.69 -48.66 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -52.83 -53.77 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 15.7 p -52.04 -42.21 62.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.76 -37.73 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -65.67 -45.62 82.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -54.69 -48.34 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HG2' HD23 ' A' ' 95' ' ' LEU . 9.1 tttm -59.46 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' LYS . 11.0 mm-40 -35.3 -46.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 121' ' ' ILE . 46.3 mmtm -64.41 -57.58 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mp -45.25 -52.9 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.458 HD23 ' HG2' ' A' ' 91' ' ' LYS . 3.3 mm? -55.88 -54.61 42.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.96 -44.53 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -66.6 -46.45 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.28 -46.05 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -43.3 -57.76 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -62.66 -24.15 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.6 27.27 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.51 167.82 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.47 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 21.9 t 45.79 26.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -151.99 157.04 34.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.718 0.771 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.448 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.76 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.705 ' O ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -98.46 1.77 47.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.934 HG13 ' CD2' ' A' ' 62' ' ' PHE . 45.9 t -77.01 -30.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.42 ' O ' HD12 ' A' ' 112' ' ' LEU . 21.7 t-160 -86.93 -44.1 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -66.11 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 106' ' ' MET . 48.7 mt -34.6 -38.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 107' ' ' VAL . 38.9 t -65.38 -67.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.8 mp -56.38 -13.08 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.427 ' CH2' HD11 ' A' ' 121' ' ' ILE . 78.3 t90 -81.99 -53.99 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.444 ' CD1' HD12 ' A' ' 121' ' ' ILE . 6.2 tp -69.03 -31.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 48' ' ' ALA . 1.3 mp0 -59.9 -26.69 66.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -104.27 -47.56 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -84.7 35.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.82 -63.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -58.89 -24.39 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -71.45 -55.17 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.535 HG23 ' HG3' ' A' ' 93' ' ' LYS . 52.3 mt -59.22 -43.75 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 51' ' ' PHE . 41.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 64' ' ' LEU . 76.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.81 0.338 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -65.35 -51.94 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.777 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.3 mm-40 -50.7 -49.35 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -52.66 -42.98 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.718 HD11 HG21 ' A' ' 40' ' ' THR . 82.8 mt -69.32 -60.28 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 17.8 m -50.61 -57.78 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 14' ' ' GLU . 76.6 t -38.66 -56.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.69 -36.11 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -56.97 -13.58 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -48.51 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CE3' HG21 ' A' ' 44' ' ' ILE . 70.1 t-105 -151.01 118.81 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -143.71 114.41 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -94.17 110.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.868 HD12 HG12 ' A' ' 41' ' ' VAL . 38.0 mt -63.69 -58.43 6.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -153.45 158.66 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.718 HG21 HD11 ' A' ' 16' ' ' LEU . 22.5 m -98.78 136.0 39.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.178 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.868 HG12 HD12 ' A' ' 32' ' ' LEU . 57.4 t -130.52 115.34 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -140.45 145.94 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.554 ' HG3' HG22 ' A' ' 61' ' ' VAL . 17.4 ttm180 -130.86 109.88 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.77 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.1 pp -113.91 145.18 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -92.98 142.04 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 151.17 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 5.6 ptmm? -118.11 127.82 54.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.82 172.9 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 -9.79 11.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.66 176.58 6.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 119' ' ' ARG . 38.4 m-85 -90.02 -48.23 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptm -95.79 35.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.51 51.41 6.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.88 122.03 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -45.52 117.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.528 HG23 ' HD2' ' A' ' 57' ' ' PRO . 46.6 mm -99.11 135.66 20.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.76 106.58 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.827 HD11 HD11 ' A' ' 118' ' ' LEU . 15.2 mt -116.11 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -115.95 116.43 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.44 124.14 50.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.554 HG22 ' HG3' ' A' ' 43' ' ' ARG . 86.6 t -117.72 108.09 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.47 ' CD2' HG13 ' A' ' 107' ' ' VAL . 43.2 m-85 -101.84 128.44 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -122.26 133.58 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.555 HD12 ' HB ' ' A' ' 40' ' ' THR . 5.3 mt -106.65 103.06 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.82 -176.06 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.308 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.0 14.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 70' ' ' SER . 5.2 m120 -122.21 -30.63 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.644 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -49.92 150.03 4.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.72 0.771 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.5 Cg_endo -69.72 -16.02 12.26 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.392 -0.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.1 t -35.53 -46.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.1 t -99.64 167.67 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.12 142.76 41.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.673 0.749 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.66 63.39 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.5 73.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.9 mt -72.98 131.7 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 t -139.21 113.88 9.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.93 123.97 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -154.95 120.1 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 t -125.88 155.61 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -69.39 -23.98 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -94.01 -55.71 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -43.3 156.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.5 p -100.37 -177.94 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.569 ' O ' HG23 ' A' ' 88' ' ' VAL . 28.2 ttt85 -66.51 -32.05 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.52 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.18 -49.6 75.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -54.19 -34.16 59.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.5 t -72.31 -46.51 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.1 m -57.93 -60.86 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -37.78 -61.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -48.1 -60.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -39.18 -38.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -59.66 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.66 -38.92 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' ALA . 4.4 mm? -59.76 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.6 tm-20 -37.53 -49.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' NE2' ' CZ2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -70.14 -34.26 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -51.18 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ALA . 12.4 mt-10 -36.4 -63.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -53.45 -37.31 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ALA . 21.2 mt -86.77 30.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.05 162.4 29.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.6 m 54.38 41.8 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 8.3 pt-20 -168.63 152.01 5.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 81.23 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.5 ptp -82.2 -24.36 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 111' ' ' VAL . 87.0 t -37.08 -53.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -66.81 -54.4 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -48.71 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.7 mt -40.32 -51.79 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 107' ' ' VAL . 90.9 t -50.8 -49.76 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -72.14 -16.6 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.405 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 82.2 t90 -77.4 -66.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 121' ' ' ILE . 7.7 tp -52.64 -42.29 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 114' ' ' ILE . 5.7 mm100 -51.69 -23.68 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.16 -44.47 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -95.63 35.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.827 HD11 HD11 ' A' ' 58' ' ' LEU . 2.5 tt -72.88 -42.46 63.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 15.4 ttp180 -80.33 -40.42 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -37.66 51.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 114' ' ' ILE . 66.3 mt -65.8 -45.74 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.76 0.314 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 10.0 pt20 -58.7 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 18' ' ' VAL . 33.9 mt-10 -63.02 -47.52 82.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -52.09 -51.31 58.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.3 -60.2 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -43.55 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 14' ' ' GLU . 90.2 t -39.62 -50.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.603 HD11 HG11 ' A' ' 107' ' ' VAL . 66.6 mt -56.56 -54.91 40.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.87 -35.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.09 91.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.662 HD13 ' CD2' ' A' ' 108' ' ' HIS . 19.2 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -94.03 117.93 30.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -139.63 131.3 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 34' ' ' ARG . 53.3 t -121.35 105.16 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD12 HG12 ' A' ' 41' ' ' VAL . 43.6 mt -42.66 -67.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -151.64 159.39 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HG2' HG23 ' A' ' 40' ' ' THR . 29.9 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.471 HG23 ' HG2' ' A' ' 34' ' ' ARG . 76.5 m -110.92 125.78 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.157 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 32' ' ' LEU . 58.1 t -124.91 127.83 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.411 ' HB3' HG13 ' A' ' 31' ' ' VAL . 54.2 p90 -149.67 162.32 40.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.81 ' HG3' HG22 ' A' ' 61' ' ' VAL . 24.0 ttp85 -145.71 133.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.9 pp -125.25 149.73 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -87.24 124.91 33.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 60' ' ' LEU . 12.2 t -126.2 152.31 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -136.01 136.11 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.95 172.1 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.84 -5.01 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.34 -150.29 47.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 1.3 m-30 -111.23 -37.99 5.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASP . 10.3 tpt -119.99 74.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' MET . 57.5 m-20 35.94 45.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.25 143.46 47.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 114.82 22.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.63 HG23 ' HD2' ' A' ' 57' ' ' PRO . 17.5 mm -88.66 138.17 29.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.77 90.55 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.342 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.09 144.15 28.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -124.5 117.8 25.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 46' ' ' THR . 7.5 mt -117.3 106.81 13.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.81 HG22 ' HG3' ' A' ' 43' ' ' ARG . 21.4 t -104.54 103.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -94.41 132.59 38.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -120.58 124.63 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD22 ' CE2' ' A' ' 68' ' ' TYR . 31.8 mt -106.13 96.54 13.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.7 Cg_endo -69.74 -173.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.01 -27.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -76.75 -42.77 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.643 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -38.55 150.03 0.21 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.674 0.75 . . . . 0.0 110.905 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.63 10.6 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.342 -0.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.3 m -38.78 -47.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t -101.32 147.54 26.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' HG ' ' HB1' ' A' ' 98' ' ' ALA . 7.2 mp -65.86 142.86 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 134.06 27.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.1 88.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.5 mt -86.17 140.47 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 t -134.42 130.85 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mm -122.11 107.82 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -141.85 119.99 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 t -126.02 133.29 51.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.65 -16.54 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -95.65 -68.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.7 mt -40.54 155.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.5 p -89.77 -178.98 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.66 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.77 -48.0 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' VAL . 22.5 mm-40 -59.02 -66.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -39.7 -26.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' GLN . 18.7 t -84.38 -50.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.5 m -55.8 -27.49 51.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 94' ' ' LEU . 33.5 t -74.53 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -61.2 -53.62 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 93' ' ' LYS . 8.7 pt-20 -42.61 -35.91 1.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -70.42 -58.36 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.0 mm? -43.39 -41.66 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.94 -41.0 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.53 -35.57 70.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -80.11 -31.36 39.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -51.48 -58.75 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -39.97 -66.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.3 t -51.24 -27.89 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.3 mt -93.93 33.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.21 156.93 27.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m 59.17 33.58 22.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.76 153.51 9.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.718 0.771 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.77 2.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.254 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 108' ' ' HIS . 0.8 OUTLIER -113.28 -31.42 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.603 HG11 HD11 ' A' ' 19' ' ' LEU . 79.0 t -34.36 -33.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.662 ' CD2' HD13 ' A' ' 22' ' ' ILE . 14.5 t-80 -83.86 -59.67 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.15 -50.79 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.6 -49.95 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.82 -53.45 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.627 HD11 ' NE2' ' A' ' 108' ' ' HIS . 23.1 mt -69.8 -15.47 63.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.425 ' CZ3' HD11 ' A' ' 121' ' ' ILE . 85.2 t90 -76.44 -63.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.48 HD11 HD22 ' A' ' 118' ' ' LEU . 4.2 tp -53.42 -40.97 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.426 ' CD ' HG23 ' A' ' 114' ' ' ILE . 0.5 OUTLIER -64.29 -12.26 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -104.2 -45.06 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -95.44 17.25 14.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.48 HD22 HD11 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -49.97 -65.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -61.22 -45.8 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -44.76 -50.53 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.425 HD11 ' CZ3' ' A' ' 113' ' ' TRP . 51.6 mt -57.0 -61.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 121' ' ' ILE . 10.3 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.811 0.339 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -55.03 -44.94 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLU . 5.6 mm-40 -51.97 -64.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' GLU . 5.4 tp10 -37.61 -58.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.01 -58.11 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -52.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -44.46 -44.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.89 -64.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.02 -41.47 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.71 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CE3' HG21 ' A' ' 44' ' ' ILE . 48.9 t-105 -129.89 126.95 39.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' OE2' HD23 ' A' ' 32' ' ' LEU . 9.6 tm-20 -144.78 140.86 28.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LEU . 90.4 t -124.98 97.19 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD12 HG12 ' A' ' 41' ' ' VAL . 31.8 mt -35.76 -70.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -154.18 172.73 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 m -90.17 123.38 33.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.643 HG12 HD12 ' A' ' 32' ' ' LEU . 96.2 t -114.65 111.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 48.2 p90 -130.56 148.33 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.579 ' HG3' HG22 ' A' ' 61' ' ' VAL . 10.9 ttp180 -132.45 102.12 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.1 pp -103.09 151.07 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -92.73 136.14 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.7 HG21 HD12 ' A' ' 60' ' ' LEU . 14.3 t -141.48 148.98 40.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -117.33 132.21 56.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.5 161.94 13.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.08 -11.4 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 72.59 -154.11 49.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.74 -37.26 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' ASP . 24.5 ttp -124.56 74.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' MET . 9.0 t0 36.32 45.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.26 112.53 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.23 145.71 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 57' ' ' PRO . 82.5 mt -128.13 138.43 32.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.78 94.72 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.8 tp -103.65 143.33 32.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -118.63 117.19 28.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 46' ' ' THR . 8.1 mt -109.23 129.81 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.579 HG22 ' HG3' ' A' ' 43' ' ' ARG . 75.8 t -123.64 102.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 64.8 m-85 -103.3 129.77 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -117.78 123.3 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 107' ' ' VAL . 34.0 mt -103.23 96.54 8.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.8 -164.11 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 m -91.14 -10.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 71' ' ' CYS . 7.7 m120 -110.45 42.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.644 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -136.27 149.03 66.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.7 0.762 . . . . 0.0 110.905 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.77 1.14 5.46 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.3 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.479 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 23.1 t -32.93 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 67' ' ' ASN . 84.6 m -138.63 -177.93 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.13 122.81 88.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.27 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.73 113.18 4.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.7 mt -114.07 136.48 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -140.88 138.25 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.7 mm -127.8 119.88 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.77 120.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -125.85 140.86 52.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.67 -28.73 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -87.87 -56.64 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.634 HD21 HD11 ' A' ' 122' ' ' LEU . 61.0 mt -47.33 149.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.0 p -92.8 164.66 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.645 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.4 tpm_? -55.81 -34.98 65.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.88 -43.77 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' THR . 45.7 mt-30 -68.79 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.2 p -38.46 -35.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 84' ' ' ARG . 90.9 t -75.03 -42.0 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLN . 95.9 m -53.75 -53.18 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' O ' HD23 ' A' ' 94' ' ' LEU . 57.3 t -52.31 -56.55 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 92' ' ' GLU . 30.0 tttt -50.73 -62.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' LYS . 22.5 mm-40 -36.47 -42.82 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -64.29 -53.28 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.5 mm? -45.47 -49.46 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.08 -48.29 17.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -52.96 -52.44 58.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.96 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -40.05 -64.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' ALA . 14.4 mt-10 -36.36 -68.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t -46.99 -30.59 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 98' ' ' ALA . 16.9 mt -95.5 35.11 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.6 158.24 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 m 53.15 46.37 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.53 155.26 2.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 98.14 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.3 ptp -98.58 -35.28 10.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.756 ' O ' HG23 ' A' ' 111' ' ' VAL . 82.4 t -34.99 -46.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -73.24 -65.14 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -39.32 -57.26 1.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 114' ' ' ILE . 11.2 mt -46.23 -48.08 17.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 107' ' ' VAL . 97.9 t -51.55 -35.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 mt -82.99 -42.15 17.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.657 ' CH2' HD11 ' A' ' 121' ' ' ILE . 65.3 t90 -58.55 -40.39 82.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.524 HD11 HD22 ' A' ' 118' ' ' LEU . 8.0 tp -73.81 -42.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.441 ' N ' HG23 ' A' ' 114' ' ' ILE . 51.8 mt-30 -49.74 -29.82 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -102.85 -44.88 5.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -86.19 36.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.524 HD22 HD11 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -79.21 -58.02 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -65.8 -37.05 85.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -54.24 -43.73 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.657 HD11 ' CH2' ' A' ' 113' ' ' TRP . 88.1 mt -70.17 -45.06 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 82' ' ' LEU . 13.1 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -58.08 -58.83 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.545 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.2 mt-10 -47.32 -40.48 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.12 -47.81 82.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.9 -48.3 71.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -44.76 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 14' ' ' GLU . 90.2 t -71.47 -46.2 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.7 mt -49.32 -55.65 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.9 -39.16 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -55.61 -53.99 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.911 HD13 ' NE2' ' A' ' 108' ' ' HIS . 19.3 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.754 ' CE3' HG21 ' A' ' 44' ' ' ILE . 68.2 t-105 -141.23 122.36 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.657 ' H ' HG22 ' A' ' 44' ' ' ILE . 8.2 tt0 -143.18 130.65 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' LEU . 75.8 t -120.77 98.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.797 HD12 HG12 ' A' ' 41' ' ' VAL . 44.2 mt -38.03 -65.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -161.13 170.62 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HD3' HG23 ' A' ' 40' ' ' THR . 5.3 mmt85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.453 HG23 ' HD3' ' A' ' 34' ' ' ARG . 94.6 m -110.85 125.11 53.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.797 HG12 HD12 ' A' ' 32' ' ' LEU . 66.2 t -123.97 134.63 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 29.3 p90 -163.18 160.18 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HD2' ' CD ' ' A' ' 59' ' ' GLU . 52.3 ttp180 -146.99 107.22 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.754 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -104.42 148.51 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -85.84 121.8 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 1.083 HG21 HD12 ' A' ' 60' ' ' LEU . 13.2 t -128.21 155.62 44.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -124.1 142.95 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.501 ' CB ' HD22 ' A' ' 118' ' ' LEU . . . -105.38 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.01 -7.41 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.74 176.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.586 ' HZ ' HD13 ' A' ' 122' ' ' LEU . 8.7 m-85 -86.37 -49.98 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . 29.2 mmm -85.96 51.95 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.6 m-20 35.27 34.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' MET . . . -126.17 122.72 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -38.95 120.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.2 mm -106.42 131.01 22.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.19 144.64 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.431 ' CD ' ' HD2' ' A' ' 43' ' ' ARG . 42.8 tt0 -114.12 109.88 19.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.083 HD12 HG21 ' A' ' 46' ' ' THR . 4.3 mt -103.72 131.6 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.3 t -127.68 102.84 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.615 ' CE2' HD22 ' A' ' 60' ' ' LEU . 67.6 m-85 -101.83 156.03 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -146.06 117.51 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.623 HD22 ' CE2' ' A' ' 68' ' ' TYR . 11.0 mt -102.6 96.43 7.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.77 -172.89 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.258 . . . . 0.0 112.339 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.51 -37.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -66.55 -44.68 81.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.649 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -39.84 149.95 0.27 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.701 0.762 . . . . 0.0 110.936 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.8 -20.32 10.85 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.301 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' PRO . 20.1 p -34.0 -45.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 39.3 t -100.82 147.85 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.535 HD21 ' OE1' ' A' ' 99' ' ' GLU . 3.6 mm? -68.16 128.42 93.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.47 69.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.304 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.85 108.31 2.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -111.22 134.36 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 t -134.12 132.14 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.429 HD11 HD22 ' A' ' 94' ' ' LEU . 14.4 mm -122.16 115.04 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -153.74 119.98 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.524 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.0 t -125.91 124.56 41.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -39.88 -27.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' SER . 5.6 mm100 -89.57 -49.73 6.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 79' ' ' SER . 27.1 mt -44.64 167.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.0 p -104.13 155.18 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -52.18 -32.26 35.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.0 -46.08 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' CYS . 52.4 mt-30 -64.44 -58.38 6.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' GLN . 30.7 p -37.85 -39.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.13 -54.16 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -42.32 -44.84 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.3 -63.44 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.95 -54.14 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -46.07 -43.12 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HG3' HG21 ' A' ' 121' ' ' ILE . 61.3 mmtt -64.45 -54.98 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 77' ' ' ILE . 7.8 mp -44.23 -44.28 7.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.78 -54.11 50.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.59 -51.38 55.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ALA . 13.8 mm100 -60.66 -47.81 84.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -37.97 -52.9 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.535 ' OE1' HD21 ' A' ' 72' ' ' LEU . 7.2 mm-40 -43.05 -64.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 t -48.38 -32.1 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -98.62 36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.488 HD11 ' OE1' ' A' ' 99' ' ' GLU . 5.5 mt -68.95 178.37 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 16.8 t 34.38 41.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -165.31 160.46 14.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 90.14 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.579 ' O ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -91.84 -22.96 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 111' ' ' VAL . 88.3 t -48.23 -57.6 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.911 ' NE2' HD13 ' A' ' 22' ' ' ILE . 16.2 t-80 -67.15 -62.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 108' ' ' HIS . 60.7 mm-40 -36.88 -53.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 106' ' ' MET . 9.0 mt -53.63 -51.81 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 107' ' ' VAL . 73.8 t -45.11 -46.02 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.466 HD13 ' OE1' ' A' ' 115' ' ' GLN . 3.3 mm? -76.99 -36.73 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CH2' HD11 ' A' ' 121' ' ' ILE . 44.5 t90 -57.67 -53.75 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 115' ' ' GLN . 9.8 tp -64.98 -48.25 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.582 ' N ' HG23 ' A' ' 114' ' ' ILE . 43.5 mt-30 -37.25 -43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -93.85 -50.17 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -83.21 39.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 122' ' ' LEU . 18.5 tp -85.77 -38.25 18.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -85.08 -40.2 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -53.77 -42.31 68.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.46 HD11 ' CH2' ' A' ' 113' ' ' TRP . 74.7 mt -67.66 -63.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.586 HD13 ' HZ ' ' A' ' 51' ' ' PHE . 6.0 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' CG2' ' CD1' ' A' ' 68' ' ' TYR . 39.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.73 -45.63 91.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.95 -51.08 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.11 -43.43 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 40' ' ' THR . 95.3 mt -65.84 -49.49 67.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.5 m -60.62 -61.84 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.2 t -44.79 -59.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.5 mt -49.39 -34.98 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -52.48 -35.34 52.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.44 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CE3' HG21 ' A' ' 44' ' ' ILE . 37.0 t-105 -104.67 115.81 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 44' ' ' ILE . 2.9 tp10 -140.5 129.92 23.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 76.3 t -119.11 109.02 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 HG12 ' A' ' 41' ' ' VAL . 40.7 mt -51.96 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -151.74 145.33 24.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 16' ' ' LEU . 98.5 m -104.29 122.59 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.508 HG12 HD12 ' A' ' 32' ' ' LEU . 97.3 t -127.01 122.75 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.416 ' HZ ' HG11 ' A' ' 107' ' ' VAL . 53.2 p90 -138.34 159.58 41.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -145.24 123.75 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.574 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.8 pp -124.75 148.92 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -92.3 134.74 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.9 t -136.23 151.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -117.59 119.98 36.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' HB2' ' NE2' ' A' ' 115' ' ' GLN . . . -103.42 159.88 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.1 tp10 -58.42 94.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.7 153.32 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -52.46 -31.59 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.8 ptm -120.0 37.55 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.12 54.19 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -145.81 108.01 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -34.5 128.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 57' ' ' PRO . 48.8 mm -118.51 138.45 25.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.74 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.727 HD23 ' NE2' ' A' ' 115' ' ' GLN . 67.0 tp -99.58 130.15 45.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -118.1 114.29 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD2' HD11 ' A' ' 77' ' ' ILE . 9.8 mt -111.28 121.5 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -112.47 101.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.741 ' CG ' HG13 ' A' ' 107' ' ' VAL . 98.0 m-85 -93.49 138.23 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -120.23 122.94 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 mt -103.72 99.67 16.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -166.48 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.677 2.252 . . . . 0.0 112.37 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.01 -22.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 68' ' ' TYR . 75.0 m-20 -75.83 -45.42 35.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -35.79 144.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.79 3.51 4.42 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.326 -0.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.485 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.27 43.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 t -175.81 158.9 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 99' ' ' GLU . 31.0 mt -87.74 129.82 49.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.487 ' CD ' ' SD ' ' A' ' 106' ' ' MET . 54.0 Cg_endo -69.75 131.39 21.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.32 111.01 3.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.689 HG21 HD13 ' A' ' 94' ' ' LEU . 40.8 mt -106.71 125.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -126.88 107.04 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.658 ' CD1' HG22 ' A' ' 75' ' ' ILE . 1.5 mp -96.24 113.03 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -134.87 119.94 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -126.19 144.51 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -86.49 -56.07 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.1 mt -57.14 154.59 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.4 p -103.96 169.21 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.87 ' O ' HG23 ' A' ' 88' ' ' VAL . 40.9 ttp180 -52.28 -48.8 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -69.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -42.59 -59.08 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.0 m -44.79 -60.23 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 84' ' ' ARG . 80.5 t -38.3 -48.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -51.86 -50.36 61.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.15 -63.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -42.39 -56.8 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.54 -53.46 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -50.87 -46.09 60.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.689 HD13 HG21 ' A' ' 75' ' ' ILE . 19.8 mt -61.17 -60.5 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 75' ' ' ILE . 4.3 mm? -46.67 -43.92 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.72 -44.43 77.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.33 -42.52 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -38.15 -59.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HG2' HD21 ' A' ' 72' ' ' LEU . 11.7 mt-10 -38.74 -58.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.0 p -55.71 -32.49 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.7 mt -95.64 35.4 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' GLU . 10.0 mt -70.47 178.44 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p 37.6 32.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' LEU . 15.6 mt-10 -157.24 161.43 29.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.657 0.742 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 87.2 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.487 ' SD ' ' CD ' ' A' ' 73' ' ' PRO . 16.6 ptp -81.79 -47.27 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.803 ' O ' HG23 ' A' ' 111' ' ' VAL . 53.6 t -33.77 -52.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' GLU . 12.3 t-80 -64.61 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.8 mm-40 -37.46 -62.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 114' ' ' ILE . 56.5 mt -35.55 -47.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 107' ' ' VAL . 57.7 t -54.24 -58.38 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 112' ' ' LEU . 6.5 mp -62.11 -25.54 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -69.59 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.574 HG23 ' N ' ' A' ' 115' ' ' GLN . 5.1 tp -61.12 -51.77 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.727 ' NE2' HD23 ' A' ' 58' ' ' LEU . 5.6 mm-40 -34.83 -38.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -96.68 -45.97 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -90.32 44.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.1 tp -89.41 -38.09 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -67.63 -39.64 84.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -60.46 -32.13 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.559 HG22 HD22 ' A' ' 122' ' ' LEU . 46.3 mm -50.09 -50.91 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.559 HD22 HG22 ' A' ' 121' ' ' ILE . 3.6 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -75.45 -53.21 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.6 pt-20 -47.02 -45.85 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 7.4 tp10 -57.14 -67.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -44.36 -39.47 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -62.84 -48.91 77.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.748 HG12 ' CD1' ' A' ' 22' ' ' ILE . 80.0 t -65.73 -50.13 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 mt -44.88 -52.47 8.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.02 -28.6 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.82 -52.46 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.748 ' CD1' HG12 ' A' ' 18' ' ' VAL . 1.7 mp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.784 ' HA ' HG22 ' A' ' 44' ' ' ILE . 68.0 t-105 -134.55 111.52 10.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -133.78 101.21 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 53.9 t -78.89 93.7 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.6 mt -44.1 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.1 p -139.23 162.6 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 51.1 mtm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.3 m -91.15 123.22 34.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.161 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.1 122.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 61' ' ' VAL . 15.0 p90 -145.13 157.4 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.559 ' CB ' HG22 ' A' ' 61' ' ' VAL . 4.9 tmm_? -142.41 131.71 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.784 HG22 ' HA ' ' A' ' 29' ' ' TRP . 2.7 pp -127.85 151.1 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.08 128.52 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.831 HG21 HD12 ' A' ' 60' ' ' LEU . 13.8 t -140.92 148.77 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 143.0 49.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.74 176.15 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.76 -8.69 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 53.39 173.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -85.07 -47.49 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.23 41.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 45.32 42.38 7.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.97 163.72 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.06 17.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 57' ' ' PRO . 89.6 mt -90.09 138.71 27.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 56' ' ' ILE . 54.0 Cg_endo -69.76 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.5 tp -106.59 142.96 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -117.77 116.54 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 46' ' ' THR . 4.0 mt -114.96 113.22 23.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG22 ' CB ' ' A' ' 43' ' ' ARG . 67.7 t -112.49 103.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.608 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 92.8 m-85 -98.38 125.62 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -106.61 114.96 29.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD21 HG21 ' A' ' 107' ' ' VAL . 16.7 mt -101.6 97.94 8.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.6 Cg_endo -69.81 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.03 -9.78 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 11.0 m-20 -93.43 -32.09 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -51.71 149.86 7.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.711 0.767 . . . . 0.0 110.913 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.82 -16.36 12.33 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 0.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.4 t -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.69 153.42 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 99' ' ' GLU . 57.2 mt -74.13 134.8 77.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 171.75 13.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.49 88.35 1.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mt -83.54 135.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 77' ' ' ILE . 5.0 t -138.36 142.13 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 76' ' ' SER . 39.1 mm -128.47 129.8 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -157.04 119.85 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.9 t -126.16 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.94 -31.72 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -85.12 -58.08 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.3 mt -49.73 147.22 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.7 p -93.06 178.13 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 88' ' ' VAL . 10.2 ttt85 -61.48 -28.79 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.75 -44.74 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.604 ' OE1' HD11 ' A' ' 122' ' ' LEU . 70.0 mm-40 -66.88 -57.72 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.2 p -43.71 -33.47 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 84' ' ' ARG . 68.9 t -75.56 -48.28 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -49.66 -51.49 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.412 ' O ' HD23 ' A' ' 94' ' ' LEU . 52.1 t -54.61 -54.95 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -50.73 -58.5 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -40.18 -47.01 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.5 ' HG3' HG23 ' A' ' 121' ' ' ILE . 58.5 mmtt -60.04 -55.65 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.6 mm? -47.14 -41.86 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.48 -51.04 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.62 -52.7 37.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -56.43 -49.83 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -41.07 -62.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.482 ' HA ' HD21 ' A' ' 72' ' ' LEU . 32.7 mt-10 -36.12 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 m -54.09 -29.29 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 98' ' ' ALA . 13.3 mt -92.61 36.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.0 156.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 t 57.71 42.92 22.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -170.42 152.86 4.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 89.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 107' ' ' VAL . 4.4 ptp -88.16 -38.97 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.781 ' O ' HG23 ' A' ' 111' ' ' VAL . 85.6 t -31.02 -61.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.438 ' CD2' HG12 ' A' ' 22' ' ' ILE . 15.6 t-80 -59.4 -43.65 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' MET . 16.9 mm-40 -63.23 -67.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 114' ' ' ILE . 25.3 mt -33.93 -46.48 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 107' ' ' VAL . 96.9 t -52.84 -52.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.33 -36.79 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -54.33 -56.39 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 110' ' ' LEU . 6.9 tp -68.92 -37.75 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 111' ' ' VAL . 34.8 mt-30 -46.35 -38.43 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -104.81 -50.67 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -77.42 46.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.0 tt -87.55 -48.66 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -29.26 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.48 -36.23 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.5 HG23 ' HG3' ' A' ' 93' ' ' LYS . 29.6 mm -49.7 -55.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.604 HD11 ' OE1' ' A' ' 86' ' ' GLN . 4.1 mm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.332 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -82.83 -44.26 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.22 -55.28 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' O ' HD12 ' A' ' 19' ' ' LEU . 6.5 tm-20 -42.09 -47.87 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HA ' HD12 ' A' ' 19' ' ' LEU . 50.3 mt -61.87 -47.18 86.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -60.4 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -41.98 -46.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' A' ' 22' ' ' ILE . 10.1 mt -51.25 -41.43 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.01 61.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.51 -36.53 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.853 HD13 ' CD2' ' A' ' 108' ' ' HIS . 98.7 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.475 ' HA ' HG22 ' A' ' 44' ' ' ILE . 47.6 t-105 -107.53 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -144.28 122.2 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 32' ' ' LEU . 89.2 t -103.71 105.56 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' VAL . 44.3 mt -35.89 -66.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -148.71 164.11 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.409 ' HD2' ' CG1' ' A' ' 31' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -110.66 129.97 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 32' ' ' LEU . 63.1 t -125.41 125.62 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 53.9 p90 -136.99 153.59 50.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.743 ' HG3' HG22 ' A' ' 61' ' ' VAL . 17.7 ttm180 -141.46 116.37 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.6 pp -117.51 148.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -86.0 124.98 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.868 HG21 HD12 ' A' ' 60' ' ' LEU . 7.0 t -129.7 159.74 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -130.94 132.42 45.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HB1' HD22 ' A' ' 118' ' ' LEU . . . -82.78 -176.97 6.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' GLY . 67.0 mt-10 -84.07 40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 36.13 -149.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -109.03 -54.73 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptm -123.89 65.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 70.48 43.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.44 173.8 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.88 140.25 49.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 57' ' ' PRO . 77.2 mt -132.66 138.42 31.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.76 122.28 8.96 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -132.53 129.68 39.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.13 107.94 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.868 HD12 HG21 ' A' ' 46' ' ' THR . 8.4 mt -102.98 112.94 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 ' HG3' ' A' ' 43' ' ' ARG . 19.3 t -107.03 108.19 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 107' ' ' VAL . 70.8 m-85 -102.36 139.41 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.48 135.05 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 68' ' ' TYR . 13.0 mt -116.38 96.45 47.85 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.6 Cg_endo -69.72 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.8 -21.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' CYS . 74.3 m-20 -106.17 48.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -135.0 149.75 71.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.646 0.736 . . . . 0.0 110.945 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 0.68 5.67 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -32.68 -36.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 67' ' ' ASN . 12.1 m -131.25 174.83 9.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.2 129.61 91.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -166.97 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -108.62 85.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.687 HD13 ' HB3' ' A' ' 94' ' ' LEU . 64.3 mt -81.13 135.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 t -139.21 143.89 38.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.512 HD11 ' CD1' ' A' ' 94' ' ' LEU . 9.0 mm -135.18 120.16 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -154.83 120.04 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -126.08 153.36 44.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.7 0.08 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.66 -36.66 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 163.37 27.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.5 p -98.54 -179.28 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -66.58 -57.43 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.0 -59.34 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.4 OUTLIER -49.28 -54.88 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -42.02 -50.04 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.19 -53.73 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.0 m -48.52 -48.18 38.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.0 -46.48 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -62.35 -56.03 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -43.61 -47.35 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -57.73 -58.71 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.687 ' HB3' HD13 ' A' ' 75' ' ' ILE . 8.6 mt -45.09 -41.18 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 95' ' ' LEU . 3.1 mm? -59.37 -41.65 89.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -60.99 -54.02 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -62.05 -34.79 76.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -49.81 -59.23 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -38.47 -68.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.6 t -47.03 -30.41 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ALA . 14.9 mt -93.77 29.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.53 170.62 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m 41.8 26.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -148.61 160.48 36.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 88.05 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 107' ' ' VAL . 14.1 ptp -85.29 -43.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 111' ' ' VAL . 58.4 t -34.07 -43.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.853 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.8 t-160 -79.03 -69.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -37.99 -57.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.502 ' O ' HG22 ' A' ' 114' ' ' ILE . 41.0 mt -41.19 -63.59 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 107' ' ' VAL . 47.6 t -40.06 -51.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.15 -31.07 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' LEU . 76.0 t90 -68.0 -60.64 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.768 HD13 HD12 ' A' ' 121' ' ' ILE . 1.5 tp -60.48 -28.77 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -68.2 -32.23 72.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -103.01 -15.02 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -112.27 24.2 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.638 HD12 HD11 ' A' ' 114' ' ' ILE . 6.2 tp -64.76 -71.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -27.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -69.83 -41.6 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.768 HD12 HD13 ' A' ' 114' ' ' ILE . 90.7 mt -74.98 -42.53 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 68' ' ' TYR . 84.7 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.801 0.334 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.61 -54.15 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.6 mt-10 -45.75 -50.14 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -52.81 -54.68 30.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.63 -47.67 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -57.02 -55.66 31.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 14' ' ' GLU . 85.8 t -53.86 -54.25 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD21 ' HA ' ' A' ' 108' ' ' HIS . 31.5 mt -54.46 -49.78 69.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.19 -23.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -69.06 -61.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' H ' HD12 ' A' ' 22' ' ' ILE . 5.0 mp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.45 ' CZ2' ' CG2' ' A' ' 31' ' ' VAL . 44.5 t-105 -102.17 121.01 41.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -144.45 123.14 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 73.3 t -118.42 104.24 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.35 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m -152.01 136.08 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -99.92 126.38 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.48 144.55 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 18.5 p90 -163.76 151.47 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.06 105.08 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.853 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.9 pp -101.25 152.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -98.2 132.13 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 t -137.28 151.95 49.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -128.05 132.98 49.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.96 -175.07 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLY . 20.0 mt-10 -83.91 35.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 34.43 -134.8 0.36 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -127.66 -37.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.5 ptm -115.49 40.44 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 69.82 37.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -128.65 104.56 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.82 132.0 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 57' ' ' PRO . 41.9 mm -117.78 138.65 25.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 129.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -136.94 156.39 48.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.722 ' OE2' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -136.43 116.99 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 7.3 mt -118.96 119.98 35.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.722 HG23 ' OE2' ' A' ' 59' ' ' GLU . 48.2 t -106.75 102.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CE1' HG12 ' A' ' 75' ' ' ILE . 94.6 m-85 -95.16 122.42 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.49 118.74 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 107' ' ' VAL . 20.2 mt -104.59 96.55 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.71 -166.43 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.348 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 m -87.64 -31.65 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.48 -43.22 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.37 149.86 0.29 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.904 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.18 10.36 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.387 -0.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -34.32 -45.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.6 m -106.61 174.59 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 137.22 27.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 136.96 34.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -72.02 107.78 2.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.627 HG22 ' CD1' ' A' ' 77' ' ' ILE . 24.9 mt -101.16 134.27 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.5 ' C ' HD12 ' A' ' 77' ' ' ILE . 18.1 m -129.01 115.14 17.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.627 ' CD1' HG22 ' A' ' 75' ' ' ILE . 1.4 mp -105.19 112.85 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -145.17 119.9 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -126.03 146.22 49.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -65.7 -19.19 65.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.79 -52.09 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.92 159.68 25.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.5 p -98.43 166.23 11.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 88' ' ' VAL . 6.2 tpt180 -51.03 -50.0 59.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.68 -67.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -43.63 -42.17 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -57.32 -53.65 55.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 84' ' ' ARG . 93.6 t -47.13 -50.02 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.2 m -51.97 -62.13 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 94' ' ' LEU . 41.2 t -38.55 -64.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -43.64 -57.42 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -42.88 -51.2 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.69 ' HG3' HG23 ' A' ' 121' ' ' ILE . 62.5 mmtt -57.94 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.588 HD22 HG21 ' A' ' 75' ' ' ILE . 3.3 mp -48.12 -55.68 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.17 -48.98 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.47 -45.16 62.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -68.16 -44.33 76.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -39.64 -58.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -37.58 -63.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 t -50.9 -36.56 38.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 9.0 mt -93.76 39.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.22 172.59 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 m 41.66 30.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -153.92 160.56 30.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 99.78 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' VAL . 19.1 ptp -101.32 -40.99 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.784 ' O ' HG23 ' A' ' 111' ' ' VAL . 59.6 t -33.84 -54.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.492 ' HA ' HD21 ' A' ' 19' ' ' LEU . 11.9 t-160 -65.9 -57.69 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -50.12 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . 18.5 mt -34.49 -51.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 107' ' ' VAL . 88.0 t -53.34 -44.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' GLU . 33.1 mt -78.15 -13.92 59.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -85.5 -45.27 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.9 tp -71.68 -25.26 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.97 -34.41 74.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -104.7 -39.8 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.0 36.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 tt -82.49 -57.57 3.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 28.3 ptt180 -59.1 -41.29 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.424 ' N ' ' HG3' ' A' ' 119' ' ' ARG . 8.0 t-80 -51.34 -62.83 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.69 HG23 ' HG3' ' A' ' 93' ' ' LYS . 74.3 mt -36.75 -44.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.761 0.315 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -72.9 -60.03 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.0 mm-40 -41.69 -41.16 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.66 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.884 HD11 HG21 ' A' ' 40' ' ' THR . 83.0 mt -46.09 -45.68 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 t -66.89 -62.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 14' ' ' GLU . 48.3 t -43.49 -43.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.12 -47.2 65.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -24.51 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.66 -46.58 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.642 HD13 ' NE2' ' A' ' 108' ' ' HIS . 40.7 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.838 0.352 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.714 ' CE3' HG21 ' A' ' 44' ' ' ILE . 16.9 t-105 -123.16 122.39 38.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -142.27 142.03 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' LEU . 53.8 t -119.81 98.03 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.825 HD12 HG12 ' A' ' 41' ' ' VAL . 53.2 mt -36.25 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -160.83 146.44 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.884 HG21 HD11 ' A' ' 16' ' ' LEU . 88.0 m -144.75 123.67 12.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 111.183 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.825 HG12 HD12 ' A' ' 32' ' ' LEU . 52.6 t -118.93 116.83 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 26.1 p90 -138.23 152.15 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.638 ' HG3' HG22 ' A' ' 61' ' ' VAL . 31.1 ttp180 -137.06 127.7 26.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.714 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 pp -123.47 143.96 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -92.1 127.94 37.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.644 HG21 HD12 ' A' ' 60' ' ' LEU . 7.9 t -135.28 160.07 39.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -128.49 126.73 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.44 -176.94 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.38 4.34 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.3 -142.69 44.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.93 -32.81 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' ASP . 5.0 ptm -131.88 83.02 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.4 t70 35.37 43.85 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -132.3 160.82 35.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.43 136.39 41.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.629 HG23 ' HD2' ' A' ' 57' ' ' PRO . 37.6 mm -117.45 138.18 24.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.588 0.708 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 tp -98.08 125.23 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -108.58 101.25 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD13 HG22 ' A' ' 111' ' ' VAL . 10.0 mt -99.61 105.02 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.638 HG22 ' HG3' ' A' ' 43' ' ' ARG . 45.8 t -106.92 103.66 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.61 ' CD2' HG13 ' A' ' 107' ' ' VAL . 66.3 m-85 -100.77 127.9 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.22 120.02 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.635 HD22 ' CE2' ' A' ' 68' ' ' TYR . 2.6 mt -103.56 96.45 8.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HG2' ' SG ' ' A' ' 71' ' ' CYS . 53.8 Cg_endo -69.7 -168.2 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -63.29 -69.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' VAL . 5.2 m120 -33.85 -53.37 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.635 ' CE2' HD22 ' A' ' 64' ' ' LEU . 3.2 t80 -34.75 142.57 0.24 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.79 -11.3 11.91 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.375 -0.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' PRO . 28.6 m -34.12 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 65' ' ' PRO . 1.4 p -110.56 165.55 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.48 143.01 78.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HB3' HD23 ' A' ' 64' ' ' LEU . 53.9 Cg_endo -69.74 138.46 37.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.32 90.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.26 134.51 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.0 m -138.14 117.94 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 94' ' ' LEU . 21.8 mm -108.58 118.3 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -149.74 122.81 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 t -124.42 135.91 53.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.29 -10.29 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -104.91 -56.54 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 mt -57.7 163.58 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 48.7 p -97.98 175.4 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.3 -62.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.35 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -48.81 -25.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 m -88.68 -66.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -38.92 -33.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.0 m -63.87 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.422 HG13 ' CD1' ' A' ' 114' ' ' ILE . 48.9 t -38.84 -47.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HG2' HD23 ' A' ' 95' ' ' LEU . 68.1 tttt -59.24 -61.03 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 18.2 mt-10 -34.83 -45.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -67.39 -54.45 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 77' ' ' ILE . 38.0 mt -44.64 -41.13 6.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.1 mm? -54.3 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -41.12 -52.05 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.89 -55.08 39.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.679 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -36.92 -58.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' LEU . 20.2 mt-10 -42.21 -65.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 t -47.04 -28.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.46 30.22 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 99' ' ' GLU . 9.4 mt -65.19 159.24 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.8 m 51.59 26.85 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -153.03 160.68 30.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.25 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.234 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.679 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 6.5 ptp -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.61 HG13 ' CD2' ' A' ' 62' ' ' PHE . 54.3 t -41.51 -50.42 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.642 ' NE2' HD13 ' A' ' 22' ' ' ILE . 10.2 t-160 -67.42 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 110' ' ' LEU . 28.0 mt-10 -41.97 -63.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLU . 16.0 mt -36.36 -58.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.74 HG22 HD13 ' A' ' 60' ' ' LEU . 37.8 t -43.31 -49.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.604 HD11 ' NE2' ' A' ' 108' ' ' HIS . 10.6 mt -70.82 -33.56 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.568 HG23 ' N ' ' A' ' 115' ' ' GLN . 6.4 tp -61.65 -49.87 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.568 ' N ' HG23 ' A' ' 114' ' ' ILE . 4.0 mm100 -40.11 -40.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -88.18 -35.6 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -103.74 40.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' ILE . 45.7 tp -79.67 -49.52 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -44.6 -52.8 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.414 HD12 ' CD1' ' A' ' 114' ' ' ILE . 62.8 mt -65.81 -46.71 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG13 HD13 ' A' ' 64' ' ' LEU . 61.6 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.758 0.313 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -53.45 -50.81 64.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . 16.7 mm-40 -48.98 -65.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' GLU . 21.7 tt0 -35.81 -50.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.91 -43.59 98.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 15.3 t -64.38 -52.16 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -48.22 -57.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.3 mt -48.07 -40.45 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -46.11 -34.73 4.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.96 -58.42 4.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 22' ' ' ILE . 3.0 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 1.4 mp0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.708 ' CE3' HG21 ' A' ' 44' ' ' ILE . 71.7 t-105 -99.72 118.97 37.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.663 ' H ' HG22 ' A' ' 44' ' ' ILE . 12.9 tt0 -144.39 124.07 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 42' ' ' PHE . 84.5 t -114.87 110.01 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.63 -61.58 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -152.27 143.16 23.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -124.94 124.8 42.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.87 127.62 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.594 ' HB3' HG13 ' A' ' 31' ' ' VAL . 40.5 p90 -148.92 149.4 31.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.729 ' HG3' HG22 ' A' ' 61' ' ' VAL . 20.4 ttt180 -131.07 102.79 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.708 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.0 pp -106.35 150.85 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.489 ' CD2' ' OE2' ' A' ' 59' ' ' GLU . 38.8 m170 -100.44 144.7 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 58' ' ' LEU . 11.7 t -140.98 154.59 46.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.51 136.12 54.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 118' ' ' LEU . . . -109.13 169.24 8.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.74 -14.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 53.25 -126.92 35.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 28.1 m-85 -147.04 116.39 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 mtm 74.97 45.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.72 28.8 18.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.79 100.04 9.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.26 127.17 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.2 mt -113.76 131.75 22.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.79 18.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 58' ' ' LEU . 3.8 mm? -116.82 162.15 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 45' ' ' HIS . 3.6 tp10 -136.1 106.78 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.04 118.15 31.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.729 HG22 ' HG3' ' A' ' 43' ' ' ARG . 97.6 t -112.65 103.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 95.9 m-85 -98.52 119.9 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -110.75 115.42 29.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD13 HG13 ' A' ' 12' ' ' VAL . 41.9 mt -94.67 105.09 16.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.0 m -91.07 -24.73 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' TYR . 5.5 m120 -80.66 -41.79 23.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.615 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -35.67 148.51 0.14 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.79 3.09 4.58 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.492 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 49.0 m -76.42 45.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 47.9 t -176.05 154.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.492 HD11 ' HG3' ' A' ' 99' ' ' GLU . 4.3 mm? -83.04 128.46 65.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 151.84 69.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.26 82.04 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 mt -78.3 138.65 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 t -142.2 134.76 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.6 mm -126.6 123.08 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -157.09 121.4 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.5 t -124.91 149.94 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.08 -27.15 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -87.91 -61.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 mt -55.47 146.69 19.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.4 p -82.12 169.57 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.7 ' O ' HG23 ' A' ' 88' ' ' VAL . 65.0 ttt180 -56.93 -65.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.55 -36.54 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.59 -65.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 p -48.7 -31.61 7.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 84' ' ' ARG . 93.0 t -66.15 -45.15 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.5 m -60.82 -40.98 94.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.3 t -55.57 -56.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HG2' HD23 ' A' ' 95' ' ' LEU . 39.2 tttt -53.46 -56.64 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -40.66 -42.45 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -63.14 -49.6 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.8 mt -54.68 -42.41 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.475 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.3 mm? -51.39 -55.16 20.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.92 -54.89 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -55.15 -47.67 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.13 -59.31 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 102' ' ' LEU . 28.3 mt-10 -46.43 -64.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -52.21 -35.76 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.403 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 10.1 mt -91.81 38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 99' ' ' GLU . 3.8 mt -75.84 162.35 28.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 t 56.65 39.82 29.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.5 pt-20 -166.62 155.47 9.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.88 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -85.02 -31.67 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 111' ' ' VAL . 96.3 t -35.76 -51.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -71.02 -54.31 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' LEU . 67.3 mm-40 -47.0 -66.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.483 HD13 ' HE1' ' A' ' 62' ' ' PHE . 13.7 mt -35.66 -63.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 107' ' ' VAL . 86.7 t -36.7 -57.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.8 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.531 ' CZ3' HD11 ' A' ' 121' ' ' ILE . 87.0 t90 -46.42 -67.93 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 121' ' ' ILE . 4.9 tp -53.53 -41.8 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -54.52 -27.79 40.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -94.82 -51.26 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.45 ' OD1' ' CD2' ' A' ' 113' ' ' TRP . 0.5 OUTLIER -89.28 35.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.442 HD13 ' C ' ' A' ' 118' ' ' LEU . 1.1 tm? -60.95 -67.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 17.5 ptt180 -59.11 -46.92 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.428 ' N ' ' HG3' ' A' ' 119' ' ' ARG . 3.3 t-80 -42.28 -46.84 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 114' ' ' ILE . 78.8 mt -64.69 -64.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.753 0.311 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 20.5 mt-10 -61.16 -60.98 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -42.5 -48.97 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.447 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 95.3 mt -58.57 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -43.81 -56.14 4.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 85.4 t -47.82 -56.48 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.805 HD11 HG11 ' A' ' 107' ' ' VAL . 14.7 mt -48.21 -54.17 14.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.86 -28.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -74.33 -47.03 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.499 HD13 ' CD2' ' A' ' 108' ' ' HIS . 50.2 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.78 ' CE3' HG21 ' A' ' 44' ' ' ILE . 26.9 t-105 -110.56 111.53 22.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -126.47 140.5 52.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.706 HG23 ' HB3' ' A' ' 42' ' ' PHE . 2.4 p -127.74 106.09 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.56 -66.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.0 t -145.29 160.5 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.816 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.0 m -145.71 126.47 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -126.98 133.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.706 ' HB3' HG23 ' A' ' 31' ' ' VAL . 13.4 p90 -149.26 147.58 28.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -124.91 116.59 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.78 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -111.39 148.37 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.862 HG21 HD12 ' A' ' 60' ' ' LEU . 7.3 t -133.78 157.71 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -134.38 135.24 42.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -99.51 171.41 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.94 -9.84 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.525 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 66.43 -148.29 50.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -122.33 -54.02 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.615 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -105.39 74.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' MET . 0.1 OUTLIER 35.11 50.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.615 ' HB3' ' SD ' ' A' ' 52' ' ' MET . . . -144.69 119.37 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.1 120.49 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.525 HD12 ' HA2' ' A' ' 50' ' ' GLY . 30.3 mt -91.76 131.75 34.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 93.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.412 ' HB3' HG23 ' A' ' 46' ' ' THR . 1.3 tt -100.9 142.65 32.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -116.1 120.36 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.862 HD12 HG21 ' A' ' 46' ' ' THR . 3.8 mt -115.75 131.27 56.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.28 107.85 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 75' ' ' ILE . 91.2 m-85 -98.78 138.52 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.66 131.76 55.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 44.1 mt -106.32 96.75 14.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.4 Cg_endo -69.82 -164.69 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.3 m -94.95 -13.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 71' ' ' CYS . 88.0 m-20 -85.09 -43.26 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.96 150.14 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.701 0.763 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.75 1.08 5.47 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.344 -0.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.489 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.3 t -78.79 44.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 67' ' ' ASN . 5.7 t -175.27 170.8 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -93.92 131.24 32.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.4 50.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.32 92.63 0.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 62' ' ' PHE . 92.1 mt -89.38 138.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -130.86 109.61 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.04 124.19 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -155.48 119.94 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.533 ' HB3' HD12 ' A' ' 82' ' ' LEU . 1.9 t -126.06 124.62 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' GLU . 8.8 tm-20 -42.83 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 79' ' ' SER . 7.3 mm100 -87.89 -57.32 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 79' ' ' SER . 44.6 mt -57.21 175.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -117.67 178.35 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 88' ' ' VAL . 14.8 ttm180 -59.65 -60.32 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.5 -56.69 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -48.49 -53.22 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' VAL . 33.3 m -51.87 -59.28 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 84' ' ' ARG . 88.5 t -37.47 -44.45 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -58.61 -50.34 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.06 -55.67 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 12.4 tmtt? -48.94 -51.88 27.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 51.8 mm-40 -50.19 -44.8 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -57.85 -60.9 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD22 HG21 ' A' ' 75' ' ' ILE . 3.9 mp -41.47 -44.62 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.468 ' CD2' ' HE2' ' A' ' 91' ' ' LYS . 4.3 mm? -60.5 -52.42 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -48.06 -44.17 31.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' ALA . 7.6 mm100 -65.49 -53.68 39.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.629 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -35.69 -55.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -39.4 -59.29 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.3 mt -98.86 36.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.88 174.45 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t 41.98 27.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -148.34 161.39 34.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 84.98 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.629 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 19.9 ptp -81.59 -39.17 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 19' ' ' LEU . 42.3 t -33.88 -59.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.499 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.7 t-160 -64.84 -67.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.6 mt-10 -36.73 -64.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 75' ' ' ILE . 14.8 mt -38.4 -63.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG22 HD13 ' A' ' 60' ' ' LEU . 21.6 t -36.65 -60.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.439 HD23 ' OE1' ' A' ' 115' ' ' GLN . 45.9 mt -58.05 -45.55 86.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -49.84 -59.06 4.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 121' ' ' ILE . 5.6 tp -67.08 -37.59 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.439 ' OE1' HD23 ' A' ' 112' ' ' LEU . 41.5 mt-30 -48.47 -33.07 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -104.53 -36.39 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -95.12 45.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.4 HD13 ' CB ' ' A' ' 48' ' ' ALA . 10.4 tt -87.74 -55.24 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.56 -32.0 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -59.19 -35.39 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 114' ' ' ILE . 77.4 mt -66.57 -50.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.706 HG22 ' CE1' ' A' ' 68' ' ' TYR . 92.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.776 0.322 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -60.13 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mt-10 -46.84 -46.2 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -52.36 -58.56 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -51.38 -45.57 62.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t -61.09 -61.01 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 95.9 t -48.0 -51.12 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.671 HD21 ' HB2' ' A' ' 108' ' ' HIS . 30.0 mt -54.11 -56.91 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.85 -33.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -58.9 -52.72 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CE3' HG21 ' A' ' 44' ' ' ILE . 68.8 t-105 -127.25 105.71 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 44' ' ' ILE . 2.5 tp10 -130.14 140.47 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 42' ' ' PHE . 2.1 p -130.08 108.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.6 mt -51.82 -61.05 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.0 t -145.98 141.44 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -149.15 123.89 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.1 t -131.69 145.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 31' ' ' VAL . 12.8 p90 -163.41 162.52 24.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -139.14 107.19 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.87 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.0 pp -109.31 152.16 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -88.44 128.23 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 1.014 HG21 HD12 ' A' ' 60' ' ' LEU . 13.3 t -130.79 153.93 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -123.69 161.89 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' A' ' 118' ' ' LEU . . . -135.85 167.35 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLY . 10.1 mm-40 -62.75 85.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.33 151.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.35 -37.32 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 ptp -114.55 37.35 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.04 54.66 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.86 116.02 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 112.67 0.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 59.2 mt -102.38 132.47 21.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.18 15.67 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.2 mt -130.09 151.38 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.72 ' OE1' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -117.77 107.86 14.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.014 HD12 HG21 ' A' ' 46' ' ' THR . 6.0 mt -114.91 115.02 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.72 HG23 ' OE1' ' A' ' 59' ' ' GLU . 80.5 t -112.15 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -92.97 120.6 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.55 114.9 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD21 HG21 ' A' ' 107' ' ' VAL . 38.2 mt -95.5 104.48 15.95 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.1 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -87.62 -29.86 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 68' ' ' TYR . 40.2 m-80 -71.17 -44.55 65.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -33.18 146.32 0.1 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.713 0.768 . . . . 0.0 110.938 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.564 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.74 2.12 4.98 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.472 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.5 m -80.0 43.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 46.3 t -175.19 151.49 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.59 124.48 79.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.29 44.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.55 93.59 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.577 HG21 HD22 ' A' ' 94' ' ' LEU . 59.7 mt -91.11 142.56 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -130.86 146.13 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.534 HD11 HD21 ' A' ' 60' ' ' LEU . 30.1 mm -136.49 116.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.22 119.9 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.536 ' HB3' HD12 ' A' ' 82' ' ' LEU . 3.0 t -126.12 140.0 52.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.27 -33.34 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -82.08 -57.1 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.632 HD21 HD11 ' A' ' 122' ' ' LEU . 16.6 mt -43.52 164.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -107.06 155.98 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 88' ' ' VAL . 9.9 ttt85 -49.38 -38.67 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.06 -45.18 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' VAL . 30.6 mt-30 -68.26 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' GLN . 20.5 p -36.17 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 84' ' ' ARG . 95.4 t -79.24 -54.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -47.1 -41.36 17.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.811 ' HA ' HG21 ' A' ' 121' ' ' ILE . 61.2 t -62.21 -54.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HE2' HD21 ' A' ' 95' ' ' LEU . 11.1 tmtt? -54.04 -47.08 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 5.3 mm-40 -49.52 -47.01 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -59.48 -56.87 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.577 HD22 HG21 ' A' ' 75' ' ' ILE . 4.4 mp -39.12 -54.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.496 HD21 ' HE2' ' A' ' 91' ' ' LYS . 4.6 mm? -52.24 -59.14 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -41.87 -36.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm100 -72.58 -50.05 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -35.19 -56.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -38.41 -64.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -51.45 -39.31 57.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -90.65 40.23 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.88 175.98 8.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.0 t 43.91 26.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -153.1 161.45 29.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.78 -31.0 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.624 HG21 HD21 ' A' ' 64' ' ' LEU . 49.1 t -41.84 -50.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.671 ' HB2' HD21 ' A' ' 19' ' ' LEU . 18.0 t-80 -74.01 -63.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 110' ' ' LEU . 26.4 mm-40 -41.23 -62.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.442 HD13 HD11 ' A' ' 75' ' ' ILE . 19.1 mt -35.65 -54.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.9 t -47.41 -55.2 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.571 HD23 ' OE1' ' A' ' 115' ' ' GLN . 69.5 mt -61.73 -45.88 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -53.42 -52.79 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.572 ' CD1' HD12 ' A' ' 121' ' ' ILE . 8.8 tp -69.07 -40.19 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.571 ' OE1' HD23 ' A' ' 112' ' ' LEU . 53.5 mt-30 -46.15 -39.23 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -97.21 -41.64 8.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -88.83 41.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 48' ' ' ALA . 13.8 tp -86.51 -41.84 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.3 ptt-85 -66.02 -41.34 91.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -51.0 -57.34 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.811 HG21 ' HA ' ' A' ' 90' ' ' VAL . 75.1 mt -57.93 -39.43 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 82' ' ' LEU . 14.6 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -63.0 -50.87 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 18' ' ' VAL . 14.5 mt-10 -47.37 -57.23 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' SER . 30.0 tt0 -55.64 -60.07 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' GLU . 46.4 mt -34.19 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 32.9 t -85.62 -54.52 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 14' ' ' GLU . 1.2 m -51.05 -38.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.765 ' HA ' HD12 ' A' ' 22' ' ' ILE . 12.7 mt -66.67 -58.01 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.05 -31.33 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.2 79.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 19' ' ' LEU . 18.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 44' ' ' ILE . 16.0 mt-10 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.792 ' HA ' HG22 ' A' ' 44' ' ' ILE . 72.0 t-105 -98.43 110.44 23.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -135.77 124.18 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' A' ' 34' ' ' ARG . 2.8 p -105.64 97.13 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -44.39 -54.15 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -152.78 132.85 13.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' VAL . 17.3 ptt85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -119.47 115.49 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 31' ' ' VAL . 98.6 t -117.4 138.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.7 147.61 26.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.555 ' CB ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.84 119.74 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.792 HG22 ' HA ' ' A' ' 29' ' ' TRP . 2.9 pp -115.75 152.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -92.57 136.57 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.873 HG21 HD12 ' A' ' 60' ' ' LEU . 14.6 t -137.2 145.36 43.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -120.33 145.39 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.493 ' HB2' HD11 ' A' ' 58' ' ' LEU . . . -105.87 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.94 -10.88 60.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.54 131.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -52.48 -47.44 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.3 ptm -102.29 40.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t0 58.74 46.7 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.67 110.03 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.3 114.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 57' ' ' PRO . 23.2 mm -94.57 136.99 22.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.73 96.8 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 48' ' ' ALA . 9.7 mt -103.09 163.47 12.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' OE1' HG23 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -137.9 126.11 23.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.873 HD12 HG21 ' A' ' 46' ' ' THR . 6.0 mt -128.5 123.08 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG22 ' CB ' ' A' ' 43' ' ' ARG . 89.7 t -119.86 109.12 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.845 ' CD2' HG13 ' A' ' 107' ' ' VAL . 95.6 m-85 -104.51 140.55 37.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -124.8 123.09 39.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 52.7 mt -105.35 96.6 11.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.9 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m -87.41 -29.53 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -75.57 -40.99 55.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.561 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -41.88 145.77 0.68 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.94 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.77 -13.73 12.44 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.376 -0.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' PRO . 5.6 t -34.17 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.64 173.47 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.29 131.33 38.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 140.12 41.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.84 112.48 4.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.502 HG12 ' CD1' ' A' ' 62' ' ' PHE . 55.0 mt -110.61 141.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -137.73 138.08 38.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 60' ' ' LEU . 23.9 mm -129.0 121.91 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.95 119.76 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.3 t -126.21 140.69 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.52 -26.58 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -89.98 -61.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 86' ' ' GLN . 31.3 mt -38.92 152.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 p -102.84 155.45 18.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.725 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -42.74 -45.59 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.1 97.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' VAL . 92.0 mt-30 -72.55 -64.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 86' ' ' GLN . 12.8 p -35.98 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 84' ' ' ARG . 95.0 t -80.55 -51.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -49.71 -47.96 50.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.69 -54.14 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -56.58 -58.62 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 18.6 mm-40 -40.13 -55.66 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -52.06 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.86 -49.51 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.412 HD21 ' HB ' ' A' ' 75' ' ' ILE . 4.5 mm? -56.46 -50.77 70.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -52.69 -47.83 66.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm-40 -62.6 -48.72 78.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.757 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -36.53 -59.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ALA . 8.7 mt-10 -36.73 -65.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.6 m -48.02 -31.54 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' ALA . 10.6 mt -96.03 36.23 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.401 ' O ' ' OE2' ' A' ' 104' ' ' GLU . 8.6 mt -70.65 159.79 33.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m 57.44 44.96 20.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.9 pt-20 -173.48 156.76 2.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 87.33 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.757 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 22.5 ptp -80.08 -40.89 26.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.845 HG13 ' CD2' ' A' ' 62' ' ' PHE . 59.4 t -33.61 -55.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -64.4 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -39.41 -59.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.4 mt -44.84 -58.52 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 107' ' ' VAL . 92.5 t -39.81 -44.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.66 -43.44 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -54.99 -52.68 62.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.798 HD12 HD12 ' A' ' 121' ' ' ILE . 7.5 tp -66.66 -44.02 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.484 ' N ' HG23 ' A' ' 114' ' ' ILE . 43.4 mt-30 -45.19 -44.42 10.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.12 -46.16 9.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.48 38.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.764 ' O ' HD13 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -72.53 -39.86 67.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.959 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -84.43 -41.18 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -51.41 -33.82 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.798 HD12 HD12 ' A' ' 114' ' ' ILE . 96.5 mt -75.09 -48.73 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.808 0.337 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -78.94 -55.07 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 18' ' ' VAL . 9.4 pt-20 -47.26 -31.16 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HA ' HG12 ' A' ' 18' ' ' VAL . 11.6 tt0 -74.35 -47.62 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 40' ' ' THR . 84.7 mt -60.63 -28.78 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -87.2 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 14' ' ' GLU . 7.2 p -40.63 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.9 mt -83.12 -48.85 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.5 -26.28 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -57.45 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.8 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.512 ' HA ' HG22 ' A' ' 44' ' ' ILE . 53.2 t-105 -105.52 104.12 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -126.07 106.96 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.848 HG23 ' HB3' ' A' ' 42' ' ' PHE . 4.1 p -104.96 103.09 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -40.67 -57.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -156.36 152.2 27.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.505 HG21 HD21 ' A' ' 16' ' ' LEU . 28.4 m -124.57 125.33 44.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.158 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.77 129.52 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.848 ' HB3' HG23 ' A' ' 31' ' ' VAL . 5.8 p90 -147.4 160.48 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -139.74 132.08 28.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.3 pp -129.3 146.21 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -89.48 123.83 33.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.583 HG21 HD12 ' A' ' 60' ' ' LEU . 12.7 t -129.33 152.57 48.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -127.08 132.74 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -100.85 177.71 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.34 -9.8 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.609 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 51.97 -126.54 30.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 27.3 m-85 -148.99 116.84 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 ttm 73.12 52.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 53.39 29.75 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.59 101.54 9.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.38 135.72 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.609 HD12 ' HA2' ' A' ' 50' ' ' GLY . 67.5 mt -118.22 132.39 23.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.76 116.91 4.78 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 118' ' ' LEU . 25.6 mt -117.52 132.48 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -110.8 100.63 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.583 HD12 HG21 ' A' ' 46' ' ' THR . 9.6 mt -102.64 118.46 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -113.5 105.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.891 ' CD2' HG13 ' A' ' 107' ' ' VAL . 55.2 m-85 -96.78 126.93 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -117.21 115.57 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.07 105.78 19.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.6 m -97.71 -9.9 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -94.54 -37.43 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -41.92 149.81 0.4 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.71 -14.91 12.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.339 -0.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' PRO . 14.6 t -34.4 -46.62 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 t -106.71 167.36 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.464 HD13 ' OE1' ' A' ' 99' ' ' GLU . 22.0 mt -85.56 138.08 36.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.66 65.42 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.67 106.32 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.49 ' HB ' HD21 ' A' ' 95' ' ' LEU . 31.8 mt -104.47 141.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 t -142.85 121.37 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.69 118.07 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -148.55 120.0 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 t -125.87 148.62 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.9 -26.57 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -87.71 -58.17 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.7 140.12 19.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.4 p -84.12 156.44 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.609 ' O ' HG23 ' A' ' 88' ' ' VAL . 18.9 ttp-105 -43.07 -41.2 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.42 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -74.98 -64.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 p -39.92 -29.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.6 t -75.27 -52.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.4 m -47.09 -57.72 4.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -46.49 -65.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 12.6 tmtt? -45.25 -50.34 11.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.457 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 13.3 mt-10 -51.35 -33.96 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -73.61 -54.49 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.64 -52.4 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.49 HD21 ' HB ' ' A' ' 75' ' ' ILE . 4.4 mm? -51.59 -52.42 47.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -50.23 -44.2 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -62.83 -51.15 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.464 ' OE1' HD13 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -42.66 -58.93 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 t -64.7 -30.25 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.7 34.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.12 176.22 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 44.17 31.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -162.26 160.47 21.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 105.96 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -100.17 -24.61 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.891 HG13 ' CD2' ' A' ' 62' ' ' PHE . 92.6 t -44.55 -46.39 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -76.42 -65.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -37.9 -53.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 114' ' ' ILE . 45.1 mt -48.51 -46.36 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.499 HG22 HD13 ' A' ' 60' ' ' LEU . 39.3 t -58.83 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.6 mt -53.01 -24.65 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.444 ' O ' ' CG ' ' A' ' 117' ' ' ASN . 46.6 t90 -69.77 -67.54 0.48 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.693 ' CD1' HD12 ' A' ' 121' ' ' ILE . 3.2 tp -60.89 -51.72 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.611 ' N ' HG23 ' A' ' 114' ' ' ILE . 16.4 mm100 -47.42 -24.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -98.1 -38.55 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 113' ' ' TRP . 0.9 OUTLIER -119.59 55.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.508 ' CD2' HD12 ' A' ' 122' ' ' LEU . 6.1 tt -82.52 -43.98 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -55.94 -42.89 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -45.56 -57.55 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.693 HD12 ' CD1' ' A' ' 114' ' ' ILE . 96.6 mt -58.55 -43.72 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.508 HD12 ' CD2' ' A' ' 118' ' ' LEU . 20.6 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.847 HG23 ' CE1' ' A' ' 68' ' ' TYR . 10.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -88.02 -55.69 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.1 pt-20 -57.65 -32.29 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -47.38 81.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.21 -42.73 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 62.1 p -75.05 -63.45 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 14' ' ' GLU . 72.0 t -44.62 -55.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.9 mt -49.93 -33.55 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -64.02 -29.41 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.38 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.665 ' CE3' HG21 ' A' ' 44' ' ' ILE . 33.3 t-105 -103.03 118.24 36.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -138.95 137.72 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG13 ' HB3' ' A' ' 42' ' ' PHE . 94.7 t -115.9 96.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.2 mt -38.03 -67.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -163.02 157.48 20.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.0 m -97.5 129.82 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.92 144.33 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' HB3' HG13 ' A' ' 31' ' ' VAL . 51.0 p90 -163.68 146.32 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' A' ' 61' ' ' VAL . 34.5 ttm180 -123.53 118.89 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.665 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.7 pp -124.26 151.26 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -104.07 130.1 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -124.29 163.58 21.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 12.3 pttp -131.29 124.61 30.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' N ' HE22 ' A' ' 115' ' ' GLN . . . -102.04 159.6 15.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -58.69 85.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.18 144.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 119' ' ' ARG . 12.0 m-85 -52.58 -18.22 1.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 ptp -120.88 34.36 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 55.73 53.16 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.91 119.79 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.52 134.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 57' ' ' PRO . 30.4 mt -121.08 138.52 27.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.81 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 mt -128.95 133.58 47.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' OE2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -111.32 114.22 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 7.0 mt -116.45 128.52 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.493 HG22 ' HG3' ' A' ' 43' ' ' ARG . 20.9 t -127.06 101.16 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.859 ' CG ' HG13 ' A' ' 107' ' ' VAL . 84.3 m-85 -93.23 145.21 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -127.34 111.43 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.934 HD21 HG21 ' A' ' 107' ' ' VAL . 12.6 mt -102.91 96.5 7.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -168.33 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.635 2.223 . . . . 0.0 112.369 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.5 m -86.94 -17.03 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 70' ' ' SER . 29.7 m-20 -80.7 -44.47 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.847 ' CE1' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -47.36 149.22 1.96 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.7 -14.88 12.42 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' PRO . 1.4 t -34.38 -45.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 98.0 m -112.96 154.4 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.78 137.83 87.94 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 175.39 8.14 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.35 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.2 84.21 0.4 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.636 HG21 HD13 ' A' ' 94' ' ' LEU . 24.6 mt -73.43 143.55 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -137.3 121.38 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' A' ' 94' ' ' LEU . 42.8 mm -116.74 117.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.66 119.97 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.733 ' HB3' HD12 ' A' ' 82' ' ' LEU . 1.8 t -126.03 139.19 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.42 -25.83 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -88.96 -52.26 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' A' ' 79' ' ' SER . 18.7 mt -61.64 149.03 40.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.6 p -86.16 -178.65 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 88' ' ' VAL . 9.9 ttm180 -66.24 -55.74 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.32 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -68.59 -63.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 88' ' ' VAL . 1.4 p -45.63 -44.56 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.3 t -60.51 -43.61 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.4 m -58.76 -48.54 80.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.1 t -54.95 -60.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 95' ' ' LEU . 20.0 tttt -47.66 -58.8 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.41 -43.78 16.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -63.38 -59.93 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.636 HD13 HG21 ' A' ' 75' ' ' ILE . 24.1 mt -40.6 -44.3 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 91' ' ' LYS . 4.3 mm? -51.22 -64.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -40.59 -57.6 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -48.3 -57.69 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' LEU . 30.6 mt-10 -39.98 -68.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.4 t -45.51 -32.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.5 30.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.1 mt -66.84 173.68 3.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.448 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 7.1 m 40.73 25.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 102' ' ' LEU . 4.3 mt-10 -150.06 161.44 31.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 114.09 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.431 ' HB2' ' CD1' ' A' ' 110' ' ' LEU . 16.9 ptp -111.74 -45.53 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.934 HG21 HD21 ' A' ' 64' ' ' LEU . 38.6 t -35.27 -44.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -74.88 -65.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.0 mm-40 -46.23 -60.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 106' ' ' MET . 53.9 mt -35.21 -56.19 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 107' ' ' VAL . 66.6 t -48.68 -58.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.53 -32.46 68.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.51 ' CH2' HD11 ' A' ' 121' ' ' ILE . 61.4 t90 -68.02 -45.79 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.481 HD12 HD12 ' A' ' 121' ' ' ILE . 8.0 tp -74.93 -31.7 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.411 HE22 ' N ' ' A' ' 48' ' ' ALA . 4.2 mm100 -65.15 -27.72 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -101.82 -39.78 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -97.32 39.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.12 -52.63 13.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 119' ' ' ARG . 3.9 ptm85 -64.36 -40.97 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -55.05 -44.85 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.51 HD11 ' CH2' ' A' ' 113' ' ' TRP . 77.7 mt -74.45 -41.92 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.788 0.328 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -90.28 -47.68 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 1.033 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.1 pp20? -51.82 -40.06 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 16' ' ' LEU . 14.9 tt0 -60.19 -68.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 15' ' ' GLU . 75.6 mt -33.73 -38.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' GLU . 16.3 t -79.81 -51.09 9.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 1.033 HG23 ' O ' ' A' ' 14' ' ' GLU . 46.4 t -51.67 -34.59 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.16 -44.85 90.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.61 -22.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.11 -50.95 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 108' ' ' HIS . 73.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.719 ' CE3' HG21 ' A' ' 44' ' ' ILE . 33.1 t-105 -113.29 110.12 19.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -127.52 132.64 49.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.586 HG11 ' HD2' ' A' ' 34' ' ' ARG . 38.9 t -117.36 102.58 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.0 -64.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -161.45 154.57 21.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.586 ' HD2' HG11 ' A' ' 31' ' ' VAL . 26.9 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.415 HG23 ' HG2' ' A' ' 34' ' ' ARG . 28.8 m -97.16 126.4 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.69 146.41 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -162.83 161.58 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.548 ' NH1' HG21 ' A' ' 61' ' ' VAL . 12.2 ttt85 -139.93 110.91 6.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.719 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.4 pp -112.14 150.2 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -96.07 130.24 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.525 ' CG2' HD23 ' A' ' 58' ' ' LEU . 1.4 t -132.92 158.15 43.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -130.55 134.19 46.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.81 -177.3 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.73 -6.1 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.54 -160.73 53.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -112.3 -52.5 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.342 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.8 ptm -99.11 39.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 64.26 42.18 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.44 118.48 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -47.09 127.49 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 57' ' ' PRO . 47.9 mm -108.94 138.66 20.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.4 Cg_endo -69.79 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.525 HD23 ' CG2' ' A' ' 46' ' ' THR . 59.0 tp -99.71 141.27 32.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -122.9 124.7 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.81 125.73 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.548 HG21 ' NH1' ' A' ' 43' ' ' ARG . 53.2 t -116.13 104.45 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.7 ' CD2' HG13 ' A' ' 107' ' ' VAL . 61.8 m-85 -97.28 150.48 20.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -136.47 120.44 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD21 HG21 ' A' ' 107' ' ' VAL . 6.4 mt -104.17 96.6 9.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.76 -164.8 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 67' ' ' ASN . 32.4 m -85.33 -39.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' SER . 6.5 m120 -67.62 -41.41 84.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.649 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.69 150.12 0.73 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.692 0.758 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.73 -8.48 10.47 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.363 -0.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 3.1 t -37.53 -46.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.6 t -107.32 162.54 13.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' A' ' 98' ' ' ALA . 4.3 mm? -70.44 133.95 86.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 157.65 59.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.376 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.32 91.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.19 143.86 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -138.76 143.87 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -128.14 113.1 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -156.74 119.98 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -125.99 155.41 41.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.83 -13.49 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' LEU . 7.5 mt-30 -103.4 -73.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' GLN . 68.6 mt -37.42 153.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 p -100.84 -179.61 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -58.07 -58.38 8.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.72 -61.32 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -43.06 -47.34 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.4 m -55.99 -56.91 15.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.7 t -40.47 -44.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.8 m -64.57 -66.03 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 94' ' ' LEU . 92.0 t -39.9 -52.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.482 ' HG2' HD23 ' A' ' 95' ' ' LEU . 44.4 tttt -60.97 -57.93 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -45.13 -24.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -85.38 -32.41 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 90' ' ' VAL . 4.1 mp -71.3 -35.99 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.3 mm? -66.52 -53.18 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 97' ' ' GLN . 6.5 pt-20 -52.55 -37.44 57.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 1.9 mp0 -71.63 -43.83 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.692 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -45.18 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.15 -64.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 t -51.34 -34.4 33.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 mt -89.55 25.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.4 mt -62.05 171.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t 40.89 25.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 102' ' ' LEU . 10.4 mt-10 -147.09 159.44 42.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.431 ' CB ' ' OE2' ' A' ' 15' ' ' GLU . 53.7 Cg_endo -69.76 82.88 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.692 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 20.7 ptp -81.51 -23.94 37.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.7 HG13 ' CD2' ' A' ' 62' ' ' PHE . 66.0 t -52.77 -49.45 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 22' ' ' ILE . 6.8 t-80 -71.85 -63.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -42.15 -59.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.9 mt -39.33 -50.65 2.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 107' ' ' VAL . 80.6 t -52.64 -43.99 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -80.92 -10.69 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.663 ' CH2' HD11 ' A' ' 121' ' ' ILE . 47.6 t90 -81.57 -58.58 2.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 115' ' ' GLN . 6.4 tp -60.54 -46.47 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.499 ' N ' HG23 ' A' ' 114' ' ' ILE . 41.7 mt-30 -37.84 -39.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -97.65 -38.62 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.469 ' O ' HD12 ' A' ' 121' ' ' ILE . 15.0 m-80 -93.24 44.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 118' ' ' LEU . 7.3 tt -97.3 -34.43 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -90.18 -52.42 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -45.4 -38.51 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.663 HD11 ' CH2' ' A' ' 113' ' ' TRP . 67.0 mt -67.85 -47.44 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.604 HG13 HD13 ' A' ' 64' ' ' LEU . 40.1 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.75 0.31 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 8.3 pt20 -52.47 -37.36 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 18' ' ' VAL . 46.3 mt-10 -65.01 -48.11 75.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.581 ' OE1' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -60.63 -52.24 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.3 mt -55.19 -42.68 73.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.1 t -68.35 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 14' ' ' GLU . 73.1 t -39.66 -50.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.39 -44.68 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -29.17 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.17 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.722 ' CE3' HG21 ' A' ' 44' ' ' ILE . 60.8 t-105 -97.86 130.71 44.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.94 136.86 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.3 t -123.89 99.09 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 HG12 ' A' ' 41' ' ' VAL . 55.8 mt -41.71 -69.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -139.23 150.39 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HA ' HG23 ' A' ' 40' ' ' THR . 32.3 ptt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 34' ' ' ARG . 94.6 m -89.12 132.09 34.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.166 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 32' ' ' LEU . 99.2 t -131.43 129.31 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -142.46 143.41 32.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.712 ' HB2' HG22 ' A' ' 61' ' ' VAL . 27.5 ptt180 -131.95 114.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.722 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -102.46 143.63 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -84.84 111.22 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 44' ' ' ILE . 5.8 t -127.19 165.03 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -133.7 149.88 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -105.86 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.84 -15.03 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.605 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 67.06 -125.19 24.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 14.7 m-85 -157.65 128.7 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' PHE . 24.4 ptm 47.45 51.18 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 62.52 47.84 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 51' ' ' PHE . . . -135.01 85.86 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 126.98 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 57' ' ' PRO . 68.8 mt -112.21 138.68 21.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 56' ' ' ILE . 54.1 Cg_endo -69.72 145.52 57.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 tp -151.46 136.67 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -120.18 100.79 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.819 HD13 HG22 ' A' ' 111' ' ' VAL . 5.5 mt -91.97 115.87 28.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.712 HG22 ' HB2' ' A' ' 43' ' ' ARG . 19.0 t -108.05 102.98 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.795 ' CD2' HG13 ' A' ' 107' ' ' VAL . 87.2 m-85 -98.48 128.06 44.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -107.68 119.81 40.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.604 HD13 HG13 ' A' ' 12' ' ' VAL . 41.9 mt -100.35 99.66 10.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.27 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 m -94.81 -28.75 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.19 -40.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.655 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.01 150.02 0.27 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.674 0.75 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.77 -7.82 10.2 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -38.73 -46.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -103.81 172.71 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.97 135.46 37.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.92 41.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.11 100.4 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.37 133.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 t -136.15 128.93 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 94' ' ' LEU . 43.4 mm -112.25 130.58 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -155.15 119.8 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 t -126.12 153.11 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -69.57 -23.5 63.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -96.71 -62.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.9 mt -50.33 146.31 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.7 p -95.25 -178.89 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -55.52 -36.65 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.32 60.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.467 ' HG3' ' CD2' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -65.24 -26.16 67.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 76.9 m -87.59 -57.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.9 -34.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 97.8 m -72.84 -69.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.621 HG13 HD13 ' A' ' 114' ' ' ILE . 85.7 t -37.12 -39.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.591 ' HA ' HD12 ' A' ' 94' ' ' LEU . 20.8 tttt -69.92 -65.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.37 -43.08 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 91' ' ' LYS . 11.0 mt -54.33 -44.51 72.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.62 -45.87 48.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -56.5 -53.01 62.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.545 ' OE1' ' CD2' ' A' ' 113' ' ' TRP . 23.1 mt-30 -57.45 -48.6 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -43.13 -61.42 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -55.09 -33.32 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -96.55 39.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' GLU . 11.8 mt -74.58 178.95 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' LEU . 7.5 t 37.76 29.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' LEU . 6.0 mm-40 -154.92 160.62 30.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.424 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -93.45 -32.61 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.795 HG13 ' CD2' ' A' ' 62' ' ' PHE . 61.2 t -38.47 -51.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.8 t-80 -71.51 -64.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' HIS . 14.2 mm-40 -36.09 -55.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 113' ' ' TRP . 14.9 mt -48.21 -62.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.819 HG22 HD13 ' A' ' 60' ' ' LEU . 71.7 t -35.84 -47.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.469 HD23 ' OE1' ' A' ' 115' ' ' GLN . 79.8 mt -72.52 -40.98 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.545 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 67.7 t90 -57.38 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 90' ' ' VAL . 6.5 tp -69.37 -47.82 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.519 ' N ' HG23 ' A' ' 114' ' ' ILE . 44.4 mt-30 -39.82 -35.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -99.64 -44.26 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.84 37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.476 HD13 ' CB ' ' A' ' 48' ' ' ALA . 2.4 tt -85.38 -40.59 16.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -79.18 -41.45 28.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.18 -35.17 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -73.25 -51.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 86' ' ' GLN . 8.0 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.766 0.317 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -63.15 -51.65 65.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -52.97 -61.0 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 19' ' ' LEU . 11.6 tp10 -39.91 -48.2 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 40' ' ' THR . 44.7 mt -62.2 -49.51 75.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -59.14 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -39.03 -51.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 15' ' ' GLU . 10.7 mt -65.74 -55.19 18.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.93 -22.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -80.31 -48.28 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CE3' HG21 ' A' ' 44' ' ' ILE . 44.1 t-105 -98.05 110.7 23.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -134.16 131.84 39.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 41' ' ' VAL . 2.8 p -113.68 126.52 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.32 -59.34 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -158.96 133.66 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.647 ' CB ' HG23 ' A' ' 40' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.647 HG23 ' CB ' ' A' ' 34' ' ' ARG . 34.4 m -108.91 120.86 43.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 68.0 t -124.59 128.48 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 62' ' ' PHE . 11.4 p90 -146.54 143.32 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HG3' HG22 ' A' ' 61' ' ' VAL . 27.2 ttm180 -120.18 100.94 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.7 pp -100.95 147.31 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -97.3 137.07 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.506 HG21 HD12 ' A' ' 60' ' ' LEU . 14.5 t -139.07 158.5 44.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -132.62 145.42 51.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.94 -175.83 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.74 -13.29 61.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' HA2' ' CD1' ' A' ' 56' ' ' ILE . . . 60.27 128.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -44.07 -42.9 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.2 tpp -101.39 48.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.98 46.82 2.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.38 112.99 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -38.85 115.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.484 ' CD1' ' HA2' ' A' ' 50' ' ' GLY . 59.2 mt -93.98 132.7 28.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 79' ' ' SER . 53.6 Cg_endo -69.81 101.4 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 46' ' ' THR . 22.2 mt -109.02 142.91 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 111' ' ' VAL . 7.8 mt -98.22 109.64 22.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.424 HG22 ' HG3' ' A' ' 43' ' ' ARG . 84.2 t -112.48 101.11 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 107' ' ' VAL . 60.0 m-85 -94.6 125.14 39.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -108.7 113.86 27.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.9 mt -89.16 111.52 45.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.402 ' HG2' ' CB ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.72 -164.32 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.67 -36.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' TYR . 11.8 t-20 -73.26 -35.48 66.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.66 149.94 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.75 2.78 4.67 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.356 -0.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.507 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 58.0 m -75.73 46.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 t -174.76 170.26 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -96.67 124.51 50.24 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 140.81 43.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.04 96.54 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.754 HD12 HD23 ' A' ' 95' ' ' LEU . 33.5 mt -88.58 140.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.447 ' O ' HD13 ' A' ' 77' ' ' ILE . 33.2 m -142.37 139.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.873 HD11 ' CD1' ' A' ' 94' ' ' LEU . 25.7 mm -131.12 125.17 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.58 119.73 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 13.6 t -126.23 155.68 41.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.39 -41.15 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.465 ' NE2' HD13 ' A' ' 56' ' ' ILE . 3.2 pt20 -80.8 -35.92 32.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 79' ' ' SER . 22.9 mt -57.68 157.2 7.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -119.48 159.54 24.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -41.69 -32.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.29 -64.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -55.02 -54.23 45.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.8 p -43.39 -27.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 84' ' ' ARG . 74.6 t -85.42 -49.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.418 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 90.2 m -54.01 -39.87 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.502 ' CG1' HG21 ' A' ' 77' ' ' ILE . 60.5 t -66.22 -45.64 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.34 -58.92 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.48 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 25.3 pt-20 -42.98 -43.72 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 57.3 mmtt -60.74 -59.53 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.873 ' CD1' HD11 ' A' ' 77' ' ' ILE . 18.4 mt -39.01 -55.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.754 HD23 HD12 ' A' ' 75' ' ' ILE . 20.8 mt -50.89 -56.71 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.63 -48.74 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.54 -43.97 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -42.32 -51.98 4.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -40.13 -57.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.8 t -57.4 -30.62 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.4 mt -97.04 34.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 104' ' ' GLU . 12.2 mt -69.84 177.05 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' LEU . 58.1 m 36.65 33.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' LEU . 3.4 mp0 -153.25 161.31 29.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 93.19 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.8 ptp -93.57 -42.06 9.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 111' ' ' VAL . 69.4 t -33.79 -39.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.417 ' NE2' HD11 ' A' ' 112' ' ' LEU . 13.0 t-160 -82.53 -70.89 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' HIS . 16.8 mt-10 -37.11 -53.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.434 HD13 ' HE1' ' A' ' 62' ' ' PHE . 72.0 mt -44.48 -53.65 6.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 60' ' ' LEU . 56.0 t -52.41 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.417 HD11 ' NE2' ' A' ' 108' ' ' HIS . 38.2 mt -57.24 -23.64 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.551 ' CH2' HD11 ' A' ' 121' ' ' ILE . 76.5 t90 -77.61 -40.41 42.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 111' ' ' VAL . 7.2 tp -79.2 -20.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 47' ' ' LYS . 3.2 mm100 -78.09 -24.5 47.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -104.85 -45.38 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -89.46 33.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 119' ' ' ARG . 12.6 tp -68.75 -64.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -36.96 -72.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 119' ' ' ARG . 36.8 t60 -35.07 -69.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.551 HD11 ' CH2' ' A' ' 113' ' ' TRP . 94.3 mt -39.6 -45.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 51' ' ' PHE . 4.2 mm? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.34 -51.88 57.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.7 mt-10 -54.65 -40.87 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' OE1' HD12 ' A' ' 19' ' ' LEU . 1.8 tm-20 -60.13 -37.1 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.25 -53.87 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -49.71 -30.79 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 14' ' ' GLU . 48.9 t -78.37 -52.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 14.3 mt -57.9 -55.47 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.43 -19.0 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.61 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.79 ' CE3' HG21 ' A' ' 44' ' ' ILE . 11.1 t-105 -145.7 114.32 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.591 HG21 ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -113.48 110.7 33.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -44.76 -64.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 m -144.54 167.67 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.591 ' HG3' HG21 ' A' ' 31' ' ' VAL . 11.1 mtp-105 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.7 m -92.14 124.35 36.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.146 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.96 123.32 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -142.75 137.66 29.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.514 ' HG3' HG22 ' A' ' 61' ' ' VAL . 49.3 ttp180 -116.97 114.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.79 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 pp -118.9 147.94 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.421 ' NE2' ' OE1' ' A' ' 59' ' ' GLU . 26.1 m80 -102.19 140.23 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 58' ' ' LEU . 8.1 t -136.91 157.74 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -116.32 150.37 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.81 174.31 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.83 -0.54 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.12 -146.49 36.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.477 ' CD2' ' HD2' ' A' ' 119' ' ' ARG . 9.2 m-85 -120.23 -41.36 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ASP . 8.4 ttm -125.64 78.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' MET . 4.1 m-20 36.86 47.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.35 112.08 7.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 130.82 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 57' ' ' PRO . 67.5 mt -107.75 137.19 19.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.667 0.746 . . . . 0.0 111.126 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 102.98 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 46' ' ' THR . 30.3 tp -106.06 140.61 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 60' ' ' LEU . 9.2 tp10 -122.94 131.38 53.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.72 HD22 ' CZ ' ' A' ' 62' ' ' PHE . 4.4 mt -130.93 117.44 19.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 43' ' ' ARG . 47.7 t -111.11 107.72 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 77.2 m-85 -105.49 150.26 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -132.79 123.55 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.447 HD21 HG21 ' A' ' 107' ' ' VAL . 9.7 mt -102.5 96.7 7.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.47 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.86 -38.06 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' TYR . 10.3 m120 -66.16 -44.47 84.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.553 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -37.36 145.96 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.754 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 3.05 4.51 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.344 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.479 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.6 44.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 t -175.45 155.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 99' ' ' GLU . 82.6 mt -84.35 121.86 75.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.568 0.699 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 145.88 58.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.01 109.71 2.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.9 mt -101.64 137.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -138.58 123.95 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.516 HG22 ' SG ' ' A' ' 87' ' ' CYS . 35.7 mm -112.51 130.2 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -155.51 120.27 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -124.62 157.06 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.76 -15.18 49.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -101.89 -56.79 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.6 mt -53.72 151.09 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.8 p -91.66 158.91 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -43.07 -55.83 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.69 -68.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -41.1 -58.28 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.516 ' SG ' HG22 ' A' ' 77' ' ' ILE . 1.9 t -42.4 -61.32 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.9 t -41.3 -53.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.9 m -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.87 -54.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' GLU . 42.1 tttt -55.46 -62.21 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' LYS . 48.3 mt-10 -35.84 -51.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -57.57 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 91' ' ' LYS . 26.1 mt -40.39 -60.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 4.4 mm? -43.26 -64.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -35.71 -56.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.58 -39.25 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -50.12 -57.04 8.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 102' ' ' LEU . 2.8 mm-40 -41.7 -60.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.0 m -63.08 -21.29 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.5 mt -93.01 27.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 99' ' ' GLU . 2.7 mt -67.28 178.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 43.79 26.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.492 ' CG ' ' HD2' ' A' ' 105' ' ' PRO . 7.1 tt0 -155.09 141.48 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 104' ' ' GLU . 54.1 Cg_endo -69.72 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.7 ptp -71.03 -31.1 67.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.66 HG13 ' CD2' ' A' ' 62' ' ' PHE . 72.0 t -35.44 -49.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -72.85 -52.04 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -49.74 -65.98 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' TRP . 23.3 mt -34.44 -62.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 60' ' ' LEU . 98.8 t -36.7 -45.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.56 -35.32 58.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.524 ' CH2' HD11 ' A' ' 121' ' ' ILE . 55.8 t90 -61.55 -57.79 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 115' ' ' GLN . 5.6 tp -60.7 -49.35 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.508 ' N ' HG23 ' A' ' 114' ' ' ILE . 10.8 mt-30 -34.35 -36.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ILE . 8.9 mm100 -101.97 -43.75 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.533 ' O ' HD12 ' A' ' 121' ' ' ILE . 27.5 m-80 -83.74 39.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.6 tt -91.5 -38.71 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.477 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.6 ttt-85 -84.51 -46.1 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -48.58 -44.82 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 117' ' ' ASN . 74.9 mt -65.83 -39.8 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -130.83 160.18 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 t -77.47 124.91 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.65 -158.99 53.46 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -135.3 111.74 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 p -112.95 113.54 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.79 60.88 0.63 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 9' ' ' ALA . 3.5 ppp? -41.98 -47.59 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.856 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -167.34 148.4 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.7 mp0 -71.64 -60.08 2.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.1 Cg_endo -69.82 -46.99 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.856 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 21.0 t -56.15 -37.95 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -70.92 -57.74 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.1 pt-20 -54.96 -42.03 71.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 35.3 tp10 -62.0 -30.5 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.52 -51.56 9.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -63.65 -54.08 41.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 14' ' ' GLU . 9.5 p -45.9 -28.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -75.78 -37.29 59.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -12.62 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.46 9.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.62 -48.91 70.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -85.2 -48.24 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p 43.3 28.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -124.71 133.77 25.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -20.24 35.33 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.387 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -94.02 -34.8 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.41 -35.32 30.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.642 ' CE3' HG21 ' A' ' 44' ' ' ILE . 66.4 t-105 -109.01 110.39 21.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -138.18 129.57 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -114.85 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -48.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -147.39 129.1 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.584 ' CB ' HG23 ' A' ' 40' ' ' THR . 1.5 ppt_? -127.04 131.62 50.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.436 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 1.3 m -121.96 167.03 13.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.11 -65.55 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.501 ' O ' HG12 ' A' ' 66' ' ' VAL . 8.8 t -108.63 -35.96 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 13.9 m-20 -50.18 -19.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.25 179.57 15.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 34' ' ' ARG . 15.0 m -144.79 115.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.149 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -119.15 128.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' HZ ' HG11 ' A' ' 107' ' ' VAL . 25.5 p90 -145.96 144.9 30.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.5 tmt_? -121.72 113.6 19.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.642 HG21 ' CE3' ' A' ' 29' ' ' TRP . 1.4 pp -115.64 137.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -91.13 134.74 34.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.503 HG21 HD12 ' A' ' 60' ' ' LEU . 9.0 t -130.67 158.07 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -135.42 133.57 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HB2' HE21 ' A' ' 115' ' ' GLN . . . -98.29 -175.64 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -84.41 22.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 40.43 -155.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -105.97 -25.64 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.905 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.12 72.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 44.38 27.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.5 157.59 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.57 121.43 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.85 129.25 26.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.04 4.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.1 mt -117.26 144.7 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.76 107.13 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.582 HD22 ' CZ ' ' A' ' 62' ' ' PHE . 4.0 mt -113.58 107.36 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.508 HG22 ' CG ' ' A' ' 43' ' ' ARG . 55.8 t -106.78 101.85 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.934 ' CD2' HG13 ' A' ' 107' ' ' VAL . 60.7 m-85 -95.89 132.59 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -120.75 130.42 54.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 3.0 mt -106.0 96.55 13.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.3 Cg_endo -69.8 -176.17 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 37' ' ' THR . 9.3 m -80.01 -24.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 70' ' ' SER . 3.9 m120 -81.23 -36.43 30.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.559 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -44.5 146.94 1.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.929 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.3 Cg_endo -69.8 -14.33 12.55 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.304 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 4.7 t -35.1 -44.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.9 t -105.39 155.66 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.54 141.11 68.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.34 62.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.49 100.85 2.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.484 HG12 ' CE1' ' A' ' 62' ' ' PHE . 30.1 mt -97.1 141.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.2 t -137.66 109.25 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mm -94.22 131.91 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -154.87 119.96 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 t -126.05 134.0 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.31 -20.55 65.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -90.49 -60.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.08 164.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.5 p -88.23 -177.72 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -70.19 -29.75 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.69 -48.66 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -52.83 -53.77 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 15.7 p -52.04 -42.21 62.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.76 -37.73 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -65.67 -45.62 82.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -54.69 -48.34 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HG2' HD23 ' A' ' 95' ' ' LEU . 9.1 tttm -59.46 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' LYS . 11.0 mm-40 -35.3 -46.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 121' ' ' ILE . 46.3 mmtm -64.41 -57.58 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mp -45.25 -52.9 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.458 HD23 ' HG2' ' A' ' 91' ' ' LYS . 3.3 mm? -55.88 -54.61 42.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.96 -44.53 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -66.6 -46.45 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.28 -46.05 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -43.3 -57.76 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -62.66 -24.15 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.6 27.27 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.51 167.82 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.47 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 21.9 t 45.79 26.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -151.99 157.04 34.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.718 0.771 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.448 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.76 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.705 ' O ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -98.46 1.77 47.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.934 HG13 ' CD2' ' A' ' 62' ' ' PHE . 45.9 t -77.01 -30.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.42 ' O ' HD12 ' A' ' 112' ' ' LEU . 21.7 t-160 -86.93 -44.1 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -66.11 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 106' ' ' MET . 48.7 mt -34.6 -38.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 107' ' ' VAL . 38.9 t -65.38 -67.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.8 mp -56.38 -13.08 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.427 ' CH2' HD11 ' A' ' 121' ' ' ILE . 78.3 t90 -81.99 -53.99 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.444 ' CD1' HD12 ' A' ' 121' ' ' ILE . 6.2 tp -69.03 -31.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 48' ' ' ALA . 1.3 mp0 -59.9 -26.69 66.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -104.27 -47.56 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -84.7 35.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.82 -63.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -58.89 -24.39 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -71.45 -55.17 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.535 HG23 ' HG3' ' A' ' 93' ' ' LYS . 52.3 mt -59.22 -43.75 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 51' ' ' PHE . 41.3 mt -58.63 -29.98 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t -86.13 62.22 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -128.87 80.88 71.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.56 3.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.76 154.5 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 29.5 m -88.1 98.39 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -112.88 169.94 8.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -44.42 121.51 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.23 -170.27 13.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -115.19 164.34 14.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -86.65 -47.16 9.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.9 74.94 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt -86.2 158.3 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -48.2 147.09 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.571 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 3.5 mp0 -80.42 -66.6 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 54.3 Cg_endo -69.67 -51.17 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 76.4 t -52.9 -42.52 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -65.35 -51.94 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.777 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.3 mm-40 -50.7 -49.35 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -52.66 -42.98 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.718 HD11 HG21 ' A' ' 40' ' ' THR . 82.8 mt -69.32 -60.28 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 17.8 m -50.61 -57.78 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 14' ' ' GLU . 76.6 t -38.66 -56.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.69 -36.11 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -56.97 -13.58 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -48.51 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 mp -54.98 -46.59 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' CYS . 83.7 m-85 -85.22 -42.52 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' PHE . 28.9 p 34.11 39.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -136.54 137.95 25.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -10.79 29.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -105.45 -21.84 13.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -103.25 11.61 36.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CE3' HG21 ' A' ' 44' ' ' ILE . 70.1 t-105 -151.01 118.81 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -143.71 114.41 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -94.17 110.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.868 HD12 HG12 ' A' ' 41' ' ' VAL . 38.0 mt -63.69 -58.43 6.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -153.45 158.66 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -142.42 115.26 8.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 m -113.42 162.04 16.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.4 -60.65 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 38' ' ' ASP . 4.2 t -126.39 -35.36 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' THR . 9.4 m-20 -34.49 -35.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' THR . . . 131.46 147.82 6.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.718 HG21 HD11 ' A' ' 16' ' ' LEU . 22.5 m -98.78 136.0 39.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.178 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.868 HG12 HD12 ' A' ' 32' ' ' LEU . 57.4 t -130.52 115.34 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -140.45 145.94 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.554 ' HG3' HG22 ' A' ' 61' ' ' VAL . 17.4 ttm180 -130.86 109.88 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.77 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.1 pp -113.91 145.18 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -92.98 142.04 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 151.17 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 5.6 ptmm? -118.11 127.82 54.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.82 172.9 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 -9.79 11.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.66 176.58 6.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 119' ' ' ARG . 38.4 m-85 -90.02 -48.23 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptm -95.79 35.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.51 51.41 6.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.88 122.03 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -45.52 117.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.528 HG23 ' HD2' ' A' ' 57' ' ' PRO . 46.6 mm -99.11 135.66 20.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.76 106.58 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.827 HD11 HD11 ' A' ' 118' ' ' LEU . 15.2 mt -116.11 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -115.95 116.43 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.44 124.14 50.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.554 HG22 ' HG3' ' A' ' 43' ' ' ARG . 86.6 t -117.72 108.09 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.47 ' CD2' HG13 ' A' ' 107' ' ' VAL . 43.2 m-85 -101.84 128.44 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -122.26 133.58 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.555 HD12 ' HB ' ' A' ' 40' ' ' THR . 5.3 mt -106.65 103.06 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.82 -176.06 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.308 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.0 14.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 70' ' ' SER . 5.2 m120 -122.21 -30.63 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.644 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -49.92 150.03 4.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.72 0.771 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.5 Cg_endo -69.72 -16.02 12.26 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.392 -0.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.1 t -35.53 -46.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.1 t -99.64 167.67 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.12 142.76 41.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.673 0.749 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.66 63.39 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.5 73.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.9 mt -72.98 131.7 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 t -139.21 113.88 9.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.93 123.97 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -154.95 120.1 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 t -125.88 155.61 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -69.39 -23.98 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -94.01 -55.71 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -43.3 156.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.5 p -100.37 -177.94 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.569 ' O ' HG23 ' A' ' 88' ' ' VAL . 28.2 ttt85 -66.51 -32.05 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.52 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.18 -49.6 75.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -54.19 -34.16 59.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.5 t -72.31 -46.51 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.1 m -57.93 -60.86 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -37.78 -61.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -48.1 -60.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -39.18 -38.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -59.66 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.66 -38.92 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' ALA . 4.4 mm? -59.76 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.6 tm-20 -37.53 -49.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' NE2' ' CZ2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -70.14 -34.26 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -51.18 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ALA . 12.4 mt-10 -36.4 -63.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -53.45 -37.31 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ALA . 21.2 mt -86.77 30.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.05 162.4 29.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.6 m 54.38 41.8 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 8.3 pt-20 -168.63 152.01 5.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 81.23 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.5 ptp -82.2 -24.36 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 111' ' ' VAL . 87.0 t -37.08 -53.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -66.81 -54.4 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -48.71 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.7 mt -40.32 -51.79 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 107' ' ' VAL . 90.9 t -50.8 -49.76 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -72.14 -16.6 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.405 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 82.2 t90 -77.4 -66.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 121' ' ' ILE . 7.7 tp -52.64 -42.29 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 114' ' ' ILE . 5.7 mm100 -51.69 -23.68 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.16 -44.47 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -95.63 35.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.827 HD11 HD11 ' A' ' 58' ' ' LEU . 2.5 tt -72.88 -42.46 63.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 15.4 ttp180 -80.33 -40.42 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -37.66 51.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 114' ' ' ILE . 66.3 mt -65.8 -45.74 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.4 mp -83.69 35.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -49.37 -50.11 41.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -142.95 142.74 22.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.578 0.704 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -175.61 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -114.68 92.85 4.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.9 m -107.85 121.3 44.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -101.27 167.62 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -121.81 84.38 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.91 -72.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 m -110.95 150.03 29.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -93.18 154.66 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 -139.93 3.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mtm -104.99 -64.99 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.937 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -144.76 154.21 42.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 12.1 mm-40 -70.6 -60.05 3.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.7 Cg_endo -69.78 -10.62 29.0 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.937 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 54.5 t -92.04 -49.68 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 10.0 pt20 -58.7 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 18' ' ' VAL . 33.9 mt-10 -63.02 -47.52 82.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -52.09 -51.31 58.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.3 -60.2 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -43.55 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 14' ' ' GLU . 90.2 t -39.62 -50.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.603 HD11 HG11 ' A' ' 107' ' ' VAL . 66.6 mt -56.56 -54.91 40.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -40.87 -35.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.09 91.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.662 HD13 ' CD2' ' A' ' 108' ' ' HIS . 19.2 mt -74.37 -47.47 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' ARG . 47.1 m-85 -81.31 -0.06 39.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' ALA . 29.1 p -34.77 -33.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' PHE . 76.1 mtt-85 -34.41 150.23 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 133.38 25.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 60.08 26.81 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -110.83 -38.41 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -94.03 117.93 30.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -139.63 131.3 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 34' ' ' ARG . 53.3 t -121.35 105.16 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD12 HG12 ' A' ' 41' ' ' VAL . 43.6 mt -42.66 -67.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -151.64 159.39 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HG2' HG23 ' A' ' 40' ' ' THR . 29.9 mtp180 -131.62 110.28 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.9 t -121.77 153.44 38.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -88.92 -58.49 2.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 t -70.53 -38.82 74.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.78 -30.49 35.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.74 -175.36 16.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.471 HG23 ' HG2' ' A' ' 34' ' ' ARG . 76.5 m -110.92 125.78 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.157 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 32' ' ' LEU . 58.1 t -124.91 127.83 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.411 ' HB3' HG13 ' A' ' 31' ' ' VAL . 54.2 p90 -149.67 162.32 40.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.81 ' HG3' HG22 ' A' ' 61' ' ' VAL . 24.0 ttp85 -145.71 133.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.9 pp -125.25 149.73 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -87.24 124.91 33.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 60' ' ' LEU . 12.2 t -126.2 152.31 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -136.01 136.11 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.95 172.1 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.84 -5.01 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.34 -150.29 47.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 1.3 m-30 -111.23 -37.99 5.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASP . 10.3 tpt -119.99 74.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' MET . 57.5 m-20 35.94 45.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.25 143.46 47.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 114.82 22.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.63 HG23 ' HD2' ' A' ' 57' ' ' PRO . 17.5 mm -88.66 138.17 29.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.77 90.55 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.342 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.09 144.15 28.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -124.5 117.8 25.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 46' ' ' THR . 7.5 mt -117.3 106.81 13.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.81 HG22 ' HG3' ' A' ' 43' ' ' ARG . 21.4 t -104.54 103.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -94.41 132.59 38.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -120.58 124.63 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD22 ' CE2' ' A' ' 68' ' ' TYR . 31.8 mt -106.13 96.54 13.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.7 Cg_endo -69.74 -173.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.01 -27.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -76.75 -42.77 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.643 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -38.55 150.03 0.21 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.674 0.75 . . . . 0.0 110.905 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.63 10.6 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.342 -0.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.3 m -38.78 -47.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t -101.32 147.54 26.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' HG ' ' HB1' ' A' ' 98' ' ' ALA . 7.2 mp -65.86 142.86 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 134.06 27.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.1 88.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.5 mt -86.17 140.47 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 t -134.42 130.85 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mm -122.11 107.82 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -141.85 119.99 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 t -126.02 133.29 51.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.65 -16.54 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -95.65 -68.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.7 mt -40.54 155.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.5 p -89.77 -178.98 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.66 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.77 -48.0 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' VAL . 22.5 mm-40 -59.02 -66.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -39.7 -26.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' GLN . 18.7 t -84.38 -50.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.5 m -55.8 -27.49 51.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 94' ' ' LEU . 33.5 t -74.53 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -61.2 -53.62 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 93' ' ' LYS . 8.7 pt-20 -42.61 -35.91 1.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -70.42 -58.36 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.0 mm? -43.39 -41.66 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.94 -41.0 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.53 -35.57 70.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -80.11 -31.36 39.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -51.48 -58.75 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -39.97 -66.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.3 t -51.24 -27.89 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.3 mt -93.93 33.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.21 156.93 27.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m 59.17 33.58 22.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.76 153.51 9.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.718 0.771 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.77 2.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.254 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 108' ' ' HIS . 0.8 OUTLIER -113.28 -31.42 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.603 HG11 HD11 ' A' ' 19' ' ' LEU . 79.0 t -34.36 -33.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.662 ' CD2' HD13 ' A' ' 22' ' ' ILE . 14.5 t-80 -83.86 -59.67 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.15 -50.79 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.6 -49.95 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.82 -53.45 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.627 HD11 ' NE2' ' A' ' 108' ' ' HIS . 23.1 mt -69.8 -15.47 63.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.425 ' CZ3' HD11 ' A' ' 121' ' ' ILE . 85.2 t90 -76.44 -63.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.48 HD11 HD22 ' A' ' 118' ' ' LEU . 4.2 tp -53.42 -40.97 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.426 ' CD ' HG23 ' A' ' 114' ' ' ILE . 0.5 OUTLIER -64.29 -12.26 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -104.2 -45.06 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -95.44 17.25 14.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.48 HD22 HD11 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -49.97 -65.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -61.22 -45.8 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -44.76 -50.53 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.425 HD11 ' CZ3' ' A' ' 113' ' ' TRP . 51.6 mt -57.0 -61.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 121' ' ' ILE . 10.3 mp -77.82 46.37 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.0 m -99.16 -46.08 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -100.95 123.53 44.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.32 2.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.4 153.26 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.43 150.07 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t 63.25 41.8 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -109.18 147.25 32.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.61 104.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -76.41 -55.91 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -64.29 113.67 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.21 92.67 2.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.6 ttp -109.3 -52.99 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.737 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -158.05 160.69 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 9.1 mt-10 -67.31 -60.12 6.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.831 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.2 Cg_endo -69.75 -46.05 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.737 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 49.0 t -56.19 -53.24 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -55.03 -44.94 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLU . 5.6 mm-40 -51.97 -64.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' GLU . 5.4 tp10 -37.61 -58.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.01 -58.11 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -52.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -44.46 -44.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD22 ' CE2' ' A' ' 23' ' ' PHE . 31.0 mt -62.89 -64.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -38.02 -41.47 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.71 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.4 mt -69.1 -38.03 77.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.53 ' CE2' HD22 ' A' ' 19' ' ' LEU . 32.0 m-85 -84.33 -0.89 54.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' ALA . 27.8 p -35.96 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' PHE . 13.4 mmp_? -40.13 153.23 0.21 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 125.07 11.71 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 m170 61.04 40.95 14.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -125.51 -9.02 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CE3' HG21 ' A' ' 44' ' ' ILE . 48.9 t-105 -129.89 126.95 39.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' OE2' HD23 ' A' ' 32' ' ' LEU . 9.6 tm-20 -144.78 140.86 28.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LEU . 90.4 t -124.98 97.19 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD12 HG12 ' A' ' 41' ' ' VAL . 31.8 mt -35.76 -70.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -154.18 172.73 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -142.33 145.06 33.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 m -119.83 147.5 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' A' ' 37' ' ' THR . 5.7 pt-20 -56.2 91.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 36' ' ' GLU . 9.9 t 43.73 43.24 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.46 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -119.95 -34.6 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.54 114.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 m -90.17 123.38 33.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.643 HG12 HD12 ' A' ' 32' ' ' LEU . 96.2 t -114.65 111.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 48.2 p90 -130.56 148.33 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.579 ' HG3' HG22 ' A' ' 61' ' ' VAL . 10.9 ttp180 -132.45 102.12 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.1 pp -103.09 151.07 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -92.73 136.14 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.7 HG21 HD12 ' A' ' 60' ' ' LEU . 14.3 t -141.48 148.98 40.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -117.33 132.21 56.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.5 161.94 13.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.08 -11.4 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 72.59 -154.11 49.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.74 -37.26 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' ASP . 24.5 ttp -124.56 74.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' MET . 9.0 t0 36.32 45.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.26 112.53 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.23 145.71 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 57' ' ' PRO . 82.5 mt -128.13 138.43 32.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.78 94.72 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.8 tp -103.65 143.33 32.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -118.63 117.19 28.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 46' ' ' THR . 8.1 mt -109.23 129.81 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.579 HG22 ' HG3' ' A' ' 43' ' ' ARG . 75.8 t -123.64 102.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 64.8 m-85 -103.3 129.77 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -117.78 123.3 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 107' ' ' VAL . 34.0 mt -103.23 96.54 8.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.8 -164.11 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 38' ' ' ASP . 20.3 m -91.14 -10.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 71' ' ' CYS . 7.7 m120 -110.45 42.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.644 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -136.27 149.03 66.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.7 0.762 . . . . 0.0 110.905 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.77 1.14 5.46 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.3 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.479 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 23.1 t -32.93 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 67' ' ' ASN . 84.6 m -138.63 -177.93 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.13 122.81 88.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.27 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.73 113.18 4.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.7 mt -114.07 136.48 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -140.88 138.25 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.7 mm -127.8 119.88 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -155.77 120.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -125.85 140.86 52.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.67 -28.73 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -87.87 -56.64 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.634 HD21 HD11 ' A' ' 122' ' ' LEU . 61.0 mt -47.33 149.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.0 p -92.8 164.66 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.645 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.4 tpm_? -55.81 -34.98 65.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.88 -43.77 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' THR . 45.7 mt-30 -68.79 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.2 p -38.46 -35.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 84' ' ' ARG . 90.9 t -75.03 -42.0 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLN . 95.9 m -53.75 -53.18 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' O ' HD23 ' A' ' 94' ' ' LEU . 57.3 t -52.31 -56.55 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 92' ' ' GLU . 30.0 tttt -50.73 -62.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' LYS . 22.5 mm-40 -36.47 -42.82 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -64.29 -53.28 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.5 mm? -45.47 -49.46 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.08 -48.29 17.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -52.96 -52.44 58.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.96 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -40.05 -64.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' ALA . 14.4 mt-10 -36.36 -68.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t -46.99 -30.59 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 98' ' ' ALA . 16.9 mt -95.5 35.11 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.6 158.24 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 m 53.15 46.37 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.53 155.26 2.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 98.14 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.3 ptp -98.58 -35.28 10.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.756 ' O ' HG23 ' A' ' 111' ' ' VAL . 82.4 t -34.99 -46.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -73.24 -65.14 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -39.32 -57.26 1.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 114' ' ' ILE . 11.2 mt -46.23 -48.08 17.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 107' ' ' VAL . 97.9 t -51.55 -35.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 mt -82.99 -42.15 17.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.657 ' CH2' HD11 ' A' ' 121' ' ' ILE . 65.3 t90 -58.55 -40.39 82.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.524 HD11 HD22 ' A' ' 118' ' ' LEU . 8.0 tp -73.81 -42.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.441 ' N ' HG23 ' A' ' 114' ' ' ILE . 51.8 mt-30 -49.74 -29.82 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -102.85 -44.88 5.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -86.19 36.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.524 HD22 HD11 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -79.21 -58.02 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -65.8 -37.05 85.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -54.24 -43.73 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.657 HD11 ' CH2' ' A' ' 113' ' ' TRP . 88.1 mt -70.17 -45.06 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 82' ' ' LEU . 13.1 mt -82.26 39.92 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.8 p -79.38 -37.96 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -123.97 82.38 55.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.13 2.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.29 158.71 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.527 ' O ' HG22 ' A' ' 127' ' ' THR . 16.8 m 56.92 40.93 28.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -96.84 112.99 24.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -108.14 103.29 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 -104.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m 56.64 51.53 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 p -52.79 -17.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.06 99.09 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.662 ' CE ' HG11 ' A' ' 12' ' ' VAL . 2.2 ttp -108.07 -57.03 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.975 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -150.17 142.58 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.4 mm-40 -61.58 -59.64 12.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.74 -50.58 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.975 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 77.1 t -48.7 -56.18 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -58.08 -58.83 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.545 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.2 mt-10 -47.32 -40.48 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.12 -47.81 82.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.9 -48.3 71.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -44.76 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 14' ' ' GLU . 90.2 t -71.47 -46.2 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD22 ' HE2' ' A' ' 23' ' ' PHE . 13.7 mt -49.32 -55.65 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -44.9 -39.16 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -55.61 -53.99 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.911 HD13 ' NE2' ' A' ' 108' ' ' HIS . 19.3 mt -61.41 -39.69 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.737 ' CE1' HD13 ' A' ' 44' ' ' ILE . 78.7 m-85 -87.48 0.05 56.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' ALA . 35.2 t -34.46 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' PHE . 3.4 mpt_? -37.78 154.98 0.11 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.539 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.76 138.64 38.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.242 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' PRO . 15.6 p80 45.9 39.26 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -128.63 13.14 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.754 ' CE3' HG21 ' A' ' 44' ' ' ILE . 68.2 t-105 -141.23 122.36 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.657 ' H ' HG22 ' A' ' 44' ' ' ILE . 8.2 tt0 -143.18 130.65 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' LEU . 75.8 t -120.77 98.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.797 HD12 HG12 ' A' ' 41' ' ' VAL . 44.2 mt -38.03 -65.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -161.13 170.62 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HD3' HG23 ' A' ' 40' ' ' THR . 5.3 mmt85 -133.92 109.98 9.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 6.3 m -99.49 164.96 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -105.34 -44.95 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.4 t -90.32 -36.05 14.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 8.5 m-20 -75.44 -49.31 19.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.07 -159.37 25.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.525 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.453 HG23 ' HD3' ' A' ' 34' ' ' ARG . 94.6 m -110.85 125.11 53.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.797 HG12 HD12 ' A' ' 32' ' ' LEU . 66.2 t -123.97 134.63 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 29.3 p90 -163.18 160.18 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HD2' ' CD ' ' A' ' 59' ' ' GLU . 52.3 ttp180 -146.99 107.22 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.754 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -104.42 148.51 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -85.84 121.8 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 1.083 HG21 HD12 ' A' ' 60' ' ' LEU . 13.2 t -128.21 155.62 44.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -124.1 142.95 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.501 ' CB ' HD22 ' A' ' 118' ' ' LEU . . . -105.38 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.01 -7.41 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.74 176.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.586 ' HZ ' HD13 ' A' ' 122' ' ' LEU . 8.7 m-85 -86.37 -49.98 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . 29.2 mmm -85.96 51.95 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.6 m-20 35.27 34.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' MET . . . -126.17 122.72 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -38.95 120.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.2 mm -106.42 131.01 22.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.19 144.64 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' CD ' ' HD2' ' A' ' 43' ' ' ARG . 42.8 tt0 -114.12 109.88 19.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.083 HD12 HG21 ' A' ' 46' ' ' THR . 4.3 mt -103.72 131.6 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.3 t -127.68 102.84 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.615 ' CE2' HD22 ' A' ' 60' ' ' LEU . 67.6 m-85 -101.83 156.03 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -146.06 117.51 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD22 ' CE2' ' A' ' 68' ' ' TYR . 11.0 mt -102.6 96.43 7.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.77 -172.89 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.258 . . . . 0.0 112.339 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.51 -37.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -66.55 -44.68 81.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.649 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -39.84 149.95 0.27 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.701 0.762 . . . . 0.0 110.936 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.8 -20.32 10.85 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.301 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' PRO . 20.1 p -34.0 -45.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 39.3 t -100.82 147.85 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.535 HD21 ' OE1' ' A' ' 99' ' ' GLU . 3.6 mm? -68.16 128.42 93.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.47 69.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.304 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.85 108.31 2.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -111.22 134.36 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 t -134.12 132.14 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.429 HD11 HD22 ' A' ' 94' ' ' LEU . 14.4 mm -122.16 115.04 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -153.74 119.98 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.524 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.0 t -125.91 124.56 41.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -39.88 -27.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' SER . 5.6 mm100 -89.57 -49.73 6.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 79' ' ' SER . 27.1 mt -44.64 167.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.768 HG21 HG22 ' A' ' 127' ' ' THR . 64.0 p -104.13 155.18 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -52.18 -32.26 35.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.0 -46.08 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' CYS . 52.4 mt-30 -64.44 -58.38 6.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' GLN . 30.7 p -37.85 -39.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.13 -54.16 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -42.32 -44.84 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.3 -63.44 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.95 -54.14 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -46.07 -43.12 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HG3' HG21 ' A' ' 121' ' ' ILE . 61.3 mmtt -64.45 -54.98 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 77' ' ' ILE . 7.8 mp -44.23 -44.28 7.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.78 -54.11 50.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.59 -51.38 55.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ALA . 13.8 mm100 -60.66 -47.81 84.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -37.97 -52.9 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.535 ' OE1' HD21 ' A' ' 72' ' ' LEU . 7.2 mm-40 -43.05 -64.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 t -48.38 -32.1 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -98.62 36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.488 HD11 ' OE1' ' A' ' 99' ' ' GLU . 5.5 mt -68.95 178.37 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 16.8 t 34.38 41.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -165.31 160.46 14.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 90.14 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.579 ' O ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -91.84 -22.96 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 111' ' ' VAL . 88.3 t -48.23 -57.6 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.911 ' NE2' HD13 ' A' ' 22' ' ' ILE . 16.2 t-80 -67.15 -62.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 108' ' ' HIS . 60.7 mm-40 -36.88 -53.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 106' ' ' MET . 9.0 mt -53.63 -51.81 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 107' ' ' VAL . 73.8 t -45.11 -46.02 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD13 ' OE1' ' A' ' 115' ' ' GLN . 3.3 mm? -76.99 -36.73 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CH2' HD11 ' A' ' 121' ' ' ILE . 44.5 t90 -57.67 -53.75 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 115' ' ' GLN . 9.8 tp -64.98 -48.25 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.582 ' N ' HG23 ' A' ' 114' ' ' ILE . 43.5 mt-30 -37.25 -43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -93.85 -50.17 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -83.21 39.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 122' ' ' LEU . 18.5 tp -85.77 -38.25 18.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -85.08 -40.2 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -53.77 -42.31 68.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.46 HD11 ' CH2' ' A' ' 113' ' ' TRP . 74.7 mt -67.66 -63.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.586 HD13 ' HZ ' ' A' ' 51' ' ' PHE . 6.0 mt -49.44 -56.7 8.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m 55.0 42.03 31.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -158.3 143.54 12.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 174.24 9.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.91 108.34 14.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.768 HG22 HG21 ' A' ' 83' ' ' THR . 8.9 t -70.05 -41.39 74.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 127' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' GLY . 12.7 t -37.74 -61.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -128.49 165.06 21.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.05 -148.7 20.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -51.55 -56.51 13.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 p -148.81 115.45 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.93 -171.37 38.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.9 mtp -104.34 154.1 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.995 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -42.68 145.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 mt-10 -52.92 -59.44 8.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.702 0.763 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.81 -44.25 2.15 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.995 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 39.5 t -55.5 -49.68 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.73 -45.63 91.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.95 -51.08 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.11 -43.43 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 40' ' ' THR . 95.3 mt -65.84 -49.49 67.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.5 m -60.62 -61.84 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.2 t -44.79 -59.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.641 HD22 ' HE2' ' A' ' 23' ' ' PHE . 54.5 mt -49.39 -34.98 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -52.48 -35.34 52.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.44 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt -60.66 -45.48 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.641 ' HE2' HD22 ' A' ' 19' ' ' LEU . 46.2 m-85 -85.74 -1.59 57.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' ARG . 47.1 t -41.42 -34.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' CYS . 33.2 mmm-85 -36.86 152.23 0.11 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 110.856 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.452 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 53.4 Cg_endo -69.8 132.37 23.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.234 . . . . 0.0 112.358 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 69.8 m-70 61.95 25.03 14.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -116.83 -34.06 4.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CE3' HG21 ' A' ' 44' ' ' ILE . 37.0 t-105 -104.67 115.81 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 44' ' ' ILE . 2.9 tp10 -140.5 129.92 23.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 76.3 t -119.11 109.02 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 HG12 ' A' ' 41' ' ' VAL . 40.7 mt -51.96 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -151.74 145.33 24.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -136.93 117.36 13.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -114.37 163.08 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -68.15 -45.14 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 t -132.02 -37.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -41.36 -28.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.26 143.23 6.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 16' ' ' LEU . 98.5 m -104.29 122.59 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.508 HG12 HD12 ' A' ' 32' ' ' LEU . 97.3 t -127.01 122.75 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.416 ' HZ ' HG11 ' A' ' 107' ' ' VAL . 53.2 p90 -138.34 159.58 41.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -145.24 123.75 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.574 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.8 pp -124.75 148.92 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -92.3 134.74 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.9 t -136.23 151.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -117.59 119.98 36.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' HB2' ' NE2' ' A' ' 115' ' ' GLN . . . -103.42 159.88 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.1 tp10 -58.42 94.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.7 153.32 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -52.46 -31.59 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.8 ptm -120.0 37.55 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.12 54.19 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -145.81 108.01 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -34.5 128.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 57' ' ' PRO . 48.8 mm -118.51 138.45 25.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.74 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.727 HD23 ' NE2' ' A' ' 115' ' ' GLN . 67.0 tp -99.58 130.15 45.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -118.1 114.29 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD2' HD11 ' A' ' 77' ' ' ILE . 9.8 mt -111.28 121.5 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -112.47 101.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.741 ' CG ' HG13 ' A' ' 107' ' ' VAL . 98.0 m-85 -93.49 138.23 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -120.23 122.94 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 mt -103.72 99.67 16.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -166.48 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.677 2.252 . . . . 0.0 112.37 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.01 -22.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 68' ' ' TYR . 75.0 m-20 -75.83 -45.42 35.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -35.79 144.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.79 3.51 4.42 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.326 -0.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.485 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.27 43.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 t -175.81 158.9 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 99' ' ' GLU . 31.0 mt -87.74 129.82 49.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.487 ' CD ' ' SD ' ' A' ' 106' ' ' MET . 54.0 Cg_endo -69.75 131.39 21.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.32 111.01 3.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.689 HG21 HD13 ' A' ' 94' ' ' LEU . 40.8 mt -106.71 125.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -126.88 107.04 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.658 ' CD1' HG22 ' A' ' 75' ' ' ILE . 1.5 mp -96.24 113.03 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -134.87 119.94 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -126.19 144.51 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -86.49 -56.07 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.1 mt -57.14 154.59 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.4 p -103.96 169.21 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.87 ' O ' HG23 ' A' ' 88' ' ' VAL . 40.9 ttp180 -52.28 -48.8 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -69.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -42.59 -59.08 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.0 m -44.79 -60.23 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 84' ' ' ARG . 80.5 t -38.3 -48.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -51.86 -50.36 61.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.15 -63.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -42.39 -56.8 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.54 -53.46 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -50.87 -46.09 60.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.689 HD13 HG21 ' A' ' 75' ' ' ILE . 19.8 mt -61.17 -60.5 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 75' ' ' ILE . 4.3 mm? -46.67 -43.92 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.72 -44.43 77.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.33 -42.52 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -38.15 -59.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HG2' HD21 ' A' ' 72' ' ' LEU . 11.7 mt-10 -38.74 -58.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.0 p -55.71 -32.49 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.7 mt -95.64 35.4 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' GLU . 10.0 mt -70.47 178.44 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p 37.6 32.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' LEU . 15.6 mt-10 -157.24 161.43 29.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.657 0.742 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 87.2 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.487 ' SD ' ' CD ' ' A' ' 73' ' ' PRO . 16.6 ptp -81.79 -47.27 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.803 ' O ' HG23 ' A' ' 111' ' ' VAL . 53.6 t -33.77 -52.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' GLU . 12.3 t-80 -64.61 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.8 mm-40 -37.46 -62.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 114' ' ' ILE . 56.5 mt -35.55 -47.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 107' ' ' VAL . 57.7 t -54.24 -58.38 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 112' ' ' LEU . 6.5 mp -62.11 -25.54 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -69.59 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.574 HG23 ' N ' ' A' ' 115' ' ' GLN . 5.1 tp -61.12 -51.77 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.727 ' NE2' HD23 ' A' ' 58' ' ' LEU . 5.6 mm-40 -34.83 -38.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -96.68 -45.97 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -90.32 44.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.1 tp -89.41 -38.09 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -67.63 -39.64 84.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -60.46 -32.13 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.559 HG22 HD22 ' A' ' 122' ' ' LEU . 46.3 mm -50.09 -50.91 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.559 HD22 HG22 ' A' ' 121' ' ' ILE . 3.6 mm? -100.7 40.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLN . 70.4 m -109.02 -37.34 5.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' SER . 0.6 OUTLIER -35.0 142.47 0.25 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.28 35.04 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.76 37.34 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.3 m -51.73 134.5 30.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -114.96 157.34 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p 39.67 50.38 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.67 -64.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -104.98 176.64 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -154.25 163.37 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.48 95.1 1.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.537 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mmt -142.85 145.56 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.896 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -66.7 152.73 44.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 19.6 mm-40 -60.99 -60.05 11.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.2 Cg_endo -69.8 -29.89 22.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.346 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.896 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 98.9 t -73.53 -36.27 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -75.45 -53.21 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.6 pt-20 -47.02 -45.85 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 7.4 tp10 -57.14 -67.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -44.36 -39.47 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -62.84 -48.91 77.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.748 HG12 ' CD1' ' A' ' 22' ' ' ILE . 80.0 t -65.73 -50.13 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 mt -44.88 -52.47 8.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.02 -28.6 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . . . -77.82 -52.46 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.748 ' CD1' HG12 ' A' ' 18' ' ' VAL . 1.7 mp -41.48 -41.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 25' ' ' ARG . 9.3 m-85 -99.35 -23.37 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 23' ' ' PHE . 2.3 m 33.16 35.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 23' ' ' PHE . 3.1 mmp_? -131.46 144.16 52.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.7 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.268 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -71.28 -33.65 69.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -73.86 -6.44 47.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.784 ' HA ' HG22 ' A' ' 44' ' ' ILE . 68.0 t-105 -134.55 111.52 10.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -133.78 101.21 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 53.9 t -78.89 93.7 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.6 mt -44.1 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.1 p -139.23 162.6 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 51.1 mtm180 -141.26 110.86 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.457 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 67.0 m -117.16 164.43 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 16.9 mt-10 -99.96 -42.42 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.0 t -100.51 -40.69 7.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 73.0 m-20 -65.67 -44.48 86.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.49 160.6 10.25 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.3 m -91.15 123.22 34.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.161 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.1 122.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 61' ' ' VAL . 15.0 p90 -145.13 157.4 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.559 ' CB ' HG22 ' A' ' 61' ' ' VAL . 4.9 tmm_? -142.41 131.71 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.784 HG22 ' HA ' ' A' ' 29' ' ' TRP . 2.7 pp -127.85 151.1 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.08 128.52 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.831 HG21 HD12 ' A' ' 60' ' ' LEU . 13.8 t -140.92 148.77 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 143.0 49.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.74 176.15 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.76 -8.69 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 53.39 173.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -85.07 -47.49 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.23 41.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 45.32 42.38 7.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.97 163.72 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.06 17.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 57' ' ' PRO . 89.6 mt -90.09 138.71 27.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 56' ' ' ILE . 54.0 Cg_endo -69.76 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.5 tp -106.59 142.96 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -117.77 116.54 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 46' ' ' THR . 4.0 mt -114.96 113.22 23.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG22 ' CB ' ' A' ' 43' ' ' ARG . 67.7 t -112.49 103.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.608 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 92.8 m-85 -98.38 125.62 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -106.61 114.96 29.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD21 HG21 ' A' ' 107' ' ' VAL . 16.7 mt -101.6 97.94 8.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.6 Cg_endo -69.81 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 10.5 m -90.03 -9.78 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 11.0 m-20 -93.43 -32.09 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -51.71 149.86 7.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.711 0.767 . . . . 0.0 110.913 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.82 -16.36 12.33 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 0.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.4 t -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.69 153.42 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 99' ' ' GLU . 57.2 mt -74.13 134.8 77.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 171.75 13.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.49 88.35 1.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mt -83.54 135.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 77' ' ' ILE . 5.0 t -138.36 142.13 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 76' ' ' SER . 39.1 mm -128.47 129.8 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -157.04 119.85 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.9 t -126.16 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.94 -31.72 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -85.12 -58.08 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.3 mt -49.73 147.22 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.7 p -93.06 178.13 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 88' ' ' VAL . 10.2 ttt85 -61.48 -28.79 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.75 -44.74 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.604 ' OE1' HD11 ' A' ' 122' ' ' LEU . 70.0 mm-40 -66.88 -57.72 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.2 p -43.71 -33.47 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 84' ' ' ARG . 68.9 t -75.56 -48.28 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -49.66 -51.49 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.412 ' O ' HD23 ' A' ' 94' ' ' LEU . 52.1 t -54.61 -54.95 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -50.73 -58.5 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -40.18 -47.01 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.5 ' HG3' HG23 ' A' ' 121' ' ' ILE . 58.5 mmtt -60.04 -55.65 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.6 mm? -47.14 -41.86 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.48 -51.04 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.62 -52.7 37.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -56.43 -49.83 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -41.07 -62.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.482 ' HA ' HD21 ' A' ' 72' ' ' LEU . 32.7 mt-10 -36.12 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 m -54.09 -29.29 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 98' ' ' ALA . 13.3 mt -92.61 36.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.0 156.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 t 57.71 42.92 22.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -170.42 152.86 4.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 89.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 107' ' ' VAL . 4.4 ptp -88.16 -38.97 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.781 ' O ' HG23 ' A' ' 111' ' ' VAL . 85.6 t -31.02 -61.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.438 ' CD2' HG12 ' A' ' 22' ' ' ILE . 15.6 t-80 -59.4 -43.65 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' MET . 16.9 mm-40 -63.23 -67.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 114' ' ' ILE . 25.3 mt -33.93 -46.48 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 107' ' ' VAL . 96.9 t -52.84 -52.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.33 -36.79 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -54.33 -56.39 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 110' ' ' LEU . 6.9 tp -68.92 -37.75 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 111' ' ' VAL . 34.8 mt-30 -46.35 -38.43 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -104.81 -50.67 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -77.42 46.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.0 tt -87.55 -48.66 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -29.26 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.48 -36.23 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.5 HG23 ' HG3' ' A' ' 93' ' ' LYS . 29.6 mm -49.7 -55.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.604 HD11 ' OE1' ' A' ' 86' ' ' GLN . 4.1 mm? -85.87 39.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.6 t -51.0 -53.51 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -108.69 142.17 24.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 129.62 17.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.453 ' OE1' ' NE2' ' A' ' 86' ' ' GLN . 7.7 pt-20 -53.47 -27.92 27.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.6 p -98.76 173.64 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.48 ' N ' HH22 ' A' ' 34' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 p -69.94 93.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 m -150.96 169.77 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 119.0 11.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -114.48 102.35 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -97.17 -41.37 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 81.1 0.55 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -3.36 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -172.35 139.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 14.0 mm-40 -75.71 -62.96 0.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.6 Cg_endo -69.81 -50.49 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 11.8 t -54.78 -27.73 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -82.83 -44.26 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.22 -55.28 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' O ' HD12 ' A' ' 19' ' ' LEU . 6.5 tm-20 -42.09 -47.87 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HA ' HD12 ' A' ' 19' ' ' LEU . 50.3 mt -61.87 -47.18 86.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -60.4 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -41.98 -46.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' A' ' 22' ' ' ILE . 10.1 mt -51.25 -41.43 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.01 61.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.51 -36.53 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.853 HD13 ' CD2' ' A' ' 108' ' ' HIS . 98.7 mt -52.68 -41.92 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -95.48 -50.11 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.9 t 38.89 31.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -97.71 147.0 32.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 119.85 6.73 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 64.78 37.93 7.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -121.85 -26.39 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.475 ' HA ' HG22 ' A' ' 44' ' ' ILE . 47.6 t-105 -107.53 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -144.28 122.2 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 32' ' ' LEU . 89.2 t -103.71 105.56 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' VAL . 44.3 mt -35.89 -66.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -148.71 164.11 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.48 HH22 ' N ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -138.7 110.88 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -119.37 165.5 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 36' ' ' GLU . 3.0 mp0 -92.26 -45.48 8.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -99.96 -38.48 8.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -68.55 -18.09 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.6 171.86 34.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.536 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -110.66 129.97 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 32' ' ' LEU . 63.1 t -125.41 125.62 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 53.9 p90 -136.99 153.59 50.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.743 ' HG3' HG22 ' A' ' 61' ' ' VAL . 17.7 ttm180 -141.46 116.37 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.6 pp -117.51 148.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -86.0 124.98 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.868 HG21 HD12 ' A' ' 60' ' ' LEU . 7.0 t -129.7 159.74 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -130.94 132.42 45.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HB1' HD22 ' A' ' 118' ' ' LEU . . . -82.78 -176.97 6.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' GLY . 67.0 mt-10 -84.07 40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 36.13 -149.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -109.03 -54.73 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptm -123.89 65.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 70.48 43.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.44 173.8 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.88 140.25 49.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 57' ' ' PRO . 77.2 mt -132.66 138.42 31.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.76 122.28 8.96 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -132.53 129.68 39.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.13 107.94 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.868 HD12 HG21 ' A' ' 46' ' ' THR . 8.4 mt -102.98 112.94 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 ' HG3' ' A' ' 43' ' ' ARG . 19.3 t -107.03 108.19 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 107' ' ' VAL . 70.8 m-85 -102.36 139.41 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.48 135.05 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 68' ' ' TYR . 13.0 mt -116.38 96.45 47.85 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.6 Cg_endo -69.72 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.8 -21.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' CYS . 74.3 m-20 -106.17 48.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -135.0 149.75 71.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.646 0.736 . . . . 0.0 110.945 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 0.68 5.67 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -32.68 -36.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 67' ' ' ASN . 12.1 m -131.25 174.83 9.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.2 129.61 91.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -166.97 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -108.62 85.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.687 HD13 ' HB3' ' A' ' 94' ' ' LEU . 64.3 mt -81.13 135.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 t -139.21 143.89 38.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.512 HD11 ' CD1' ' A' ' 94' ' ' LEU . 9.0 mm -135.18 120.16 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -154.83 120.04 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -126.08 153.36 44.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.7 0.08 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.66 -36.66 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 163.37 27.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.5 p -98.54 -179.28 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -66.58 -57.43 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.0 -59.34 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.4 OUTLIER -49.28 -54.88 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -42.02 -50.04 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.19 -53.73 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.0 m -48.52 -48.18 38.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.0 -46.48 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -62.35 -56.03 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -43.61 -47.35 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -57.73 -58.71 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.687 ' HB3' HD13 ' A' ' 75' ' ' ILE . 8.6 mt -45.09 -41.18 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 95' ' ' LEU . 3.1 mm? -59.37 -41.65 89.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -60.99 -54.02 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -62.05 -34.79 76.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -49.81 -59.23 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -38.47 -68.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.6 t -47.03 -30.41 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ALA . 14.9 mt -93.77 29.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.53 170.62 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m 41.8 26.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -148.61 160.48 36.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 88.05 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 107' ' ' VAL . 14.1 ptp -85.29 -43.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 111' ' ' VAL . 58.4 t -34.07 -43.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.853 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.8 t-160 -79.03 -69.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -37.99 -57.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.502 ' O ' HG22 ' A' ' 114' ' ' ILE . 41.0 mt -41.19 -63.59 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 107' ' ' VAL . 47.6 t -40.06 -51.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.15 -31.07 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' LEU . 76.0 t90 -68.0 -60.64 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.768 HD13 HD12 ' A' ' 121' ' ' ILE . 1.5 tp -60.48 -28.77 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -68.2 -32.23 72.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -103.01 -15.02 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -112.27 24.2 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.638 HD12 HD11 ' A' ' 114' ' ' ILE . 6.2 tp -64.76 -71.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -27.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -69.83 -41.6 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.768 HD12 HD13 ' A' ' 114' ' ' ILE . 90.7 mt -74.98 -42.53 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.9 mt -83.71 35.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 124' ' ' GLN . 3.9 t -107.18 -56.18 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 123' ' ' SER . 1.3 mp0 -36.03 143.76 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 148.23 64.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.438 ' OE1' ' C ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -103.04 128.85 49.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.4 m -77.72 -64.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -56.7 -44.69 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -81.57 94.49 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.92 153.42 25.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -156.94 132.32 9.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 m -133.52 175.17 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.06 -167.79 11.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.42 -26.54 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.786 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -149.72 150.62 32.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 18.0 mm-40 -57.54 -60.05 11.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.5 Cg_endo -69.81 -38.97 6.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.786 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 84.7 t -57.98 -43.91 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.61 -54.15 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.6 mt-10 -45.75 -50.14 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -52.81 -54.68 30.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.63 -47.67 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -57.02 -55.66 31.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 14' ' ' GLU . 85.8 t -53.86 -54.25 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' CE1' ' A' ' 23' ' ' PHE . 31.5 mt -54.46 -49.78 69.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' O ' ' CA ' ' A' ' 24' ' ' CYS . . . -43.19 -23.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -69.06 -61.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' H ' HD12 ' A' ' 22' ' ' ILE . 5.0 mp -69.73 -36.09 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.536 ' CE1' HD22 ' A' ' 19' ' ' LEU . 20.1 m-85 -91.07 0.15 57.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.489 ' CA ' ' O ' ' A' ' 20' ' ' ALA . 21.1 p -33.16 -41.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' CD ' ' HB2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -36.17 133.31 0.59 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.718 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.71 2.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.382 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.488 ' HB2' ' CD ' ' A' ' 25' ' ' ARG . 3.6 m170 -126.1 -14.56 6.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 23' ' ' PHE . 6.7 tt0 -94.19 -33.89 13.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.45 ' CZ2' ' CG2' ' A' ' 31' ' ' VAL . 44.5 t-105 -102.17 121.01 41.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -144.45 123.14 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 73.3 t -118.42 104.24 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.35 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m -152.01 136.08 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -119.83 110.61 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 2.0 m -103.87 164.79 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.08 -37.7 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -100.09 -27.96 13.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 11.4 t70 -89.52 -23.42 22.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.27 164.47 19.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -99.92 126.38 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.48 144.55 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 18.5 p90 -163.76 151.47 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.06 105.08 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.853 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.9 pp -101.25 152.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -98.2 132.13 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 t -137.28 151.95 49.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -128.05 132.98 49.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.96 -175.07 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLY . 20.0 mt-10 -83.91 35.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 34.43 -134.8 0.36 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -127.66 -37.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.5 ptm -115.49 40.44 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 69.82 37.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -128.65 104.56 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.82 132.0 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 57' ' ' PRO . 41.9 mm -117.78 138.65 25.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 129.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -136.94 156.39 48.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.722 ' OE2' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -136.43 116.99 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 7.3 mt -118.96 119.98 35.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.722 HG23 ' OE2' ' A' ' 59' ' ' GLU . 48.2 t -106.75 102.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CE1' HG12 ' A' ' 75' ' ' ILE . 94.6 m-85 -95.16 122.42 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.49 118.74 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 107' ' ' VAL . 20.2 mt -104.59 96.55 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.71 -166.43 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.348 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 m -87.64 -31.65 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.48 -43.22 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.37 149.86 0.29 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.904 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.18 10.36 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.387 -0.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -34.32 -45.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.6 m -106.61 174.59 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 137.22 27.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 136.96 34.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -72.02 107.78 2.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.627 HG22 ' CD1' ' A' ' 77' ' ' ILE . 24.9 mt -101.16 134.27 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.5 ' C ' HD12 ' A' ' 77' ' ' ILE . 18.1 m -129.01 115.14 17.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.627 ' CD1' HG22 ' A' ' 75' ' ' ILE . 1.4 mp -105.19 112.85 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -145.17 119.9 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -126.03 146.22 49.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -65.7 -19.19 65.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.79 -52.09 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.92 159.68 25.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.5 p -98.43 166.23 11.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 88' ' ' VAL . 6.2 tpt180 -51.03 -50.0 59.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.68 -67.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -43.63 -42.17 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -57.32 -53.65 55.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 84' ' ' ARG . 93.6 t -47.13 -50.02 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.2 m -51.97 -62.13 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 94' ' ' LEU . 41.2 t -38.55 -64.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -43.64 -57.42 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -42.88 -51.2 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.69 ' HG3' HG23 ' A' ' 121' ' ' ILE . 62.5 mmtt -57.94 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD22 HG21 ' A' ' 75' ' ' ILE . 3.3 mp -48.12 -55.68 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.17 -48.98 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.47 -45.16 62.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -68.16 -44.33 76.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -39.64 -58.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -37.58 -63.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 t -50.9 -36.56 38.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 9.0 mt -93.76 39.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.22 172.59 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 m 41.66 30.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -153.92 160.56 30.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 99.78 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' VAL . 19.1 ptp -101.32 -40.99 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.784 ' O ' HG23 ' A' ' 111' ' ' VAL . 59.6 t -33.84 -54.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.492 ' HA ' HD21 ' A' ' 19' ' ' LEU . 11.9 t-160 -65.9 -57.69 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -50.12 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . 18.5 mt -34.49 -51.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 107' ' ' VAL . 88.0 t -53.34 -44.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' GLU . 33.1 mt -78.15 -13.92 59.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -85.5 -45.27 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.9 tp -71.68 -25.26 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.97 -34.41 74.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -104.7 -39.8 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.0 36.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 tt -82.49 -57.57 3.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 28.3 ptt180 -59.1 -41.29 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.424 ' N ' ' HG3' ' A' ' 119' ' ' ARG . 8.0 t-80 -51.34 -62.83 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.69 HG23 ' HG3' ' A' ' 93' ' ' LYS . 74.3 mt -36.75 -44.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.12 -72.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.7 t 66.58 37.01 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -114.98 83.72 9.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 113.97 3.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -102.02 -43.58 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 127' ' ' THR . 13.9 m 66.47 51.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 m 59.22 41.26 20.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.924 0.393 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 t -123.73 80.21 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.82 173.02 28.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -121.15 43.64 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -151.71 134.0 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.93 -103.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.31 -29.49 7.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.934 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -170.71 152.77 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.7 mm-40 -66.01 -60.09 7.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.67 0.747 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.2 Cg_endo -69.79 -47.03 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.934 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 86.7 t -52.6 -42.24 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -72.9 -60.03 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.0 mm-40 -41.69 -41.16 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.66 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.884 HD11 HG21 ' A' ' 40' ' ' THR . 83.0 mt -46.09 -45.68 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 t -66.89 -62.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 14' ' ' GLU . 48.3 t -43.49 -43.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HE2' ' A' ' 23' ' ' PHE . 15.8 mt -52.12 -47.2 65.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -24.51 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.66 -46.58 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.642 HD13 ' NE2' ' A' ' 108' ' ' HIS . 40.7 mt -52.6 -41.88 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' HE2' HD22 ' A' ' 19' ' ' LEU . 89.3 m-85 -84.31 -54.52 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 p 45.83 28.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -97.51 143.32 25.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 134.89 29.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 46.63 34.37 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -119.61 -9.69 9.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.714 ' CE3' HG21 ' A' ' 44' ' ' ILE . 16.9 t-105 -123.16 122.39 38.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -142.27 142.03 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' LEU . 53.8 t -119.81 98.03 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.825 HD12 HG12 ' A' ' 41' ' ' VAL . 53.2 mt -36.25 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -160.83 146.44 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -124.66 133.09 53.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -112.02 155.22 24.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.76 -46.02 83.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' GLY . 8.2 t -130.94 -43.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' HG23 ' A' ' 37' ' ' THR . 8.1 t70 -40.13 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' THR . . . 130.28 -167.42 21.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.884 HG21 HD11 ' A' ' 16' ' ' LEU . 88.0 m -144.75 123.67 12.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 111.183 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.825 HG12 HD12 ' A' ' 32' ' ' LEU . 52.6 t -118.93 116.83 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 26.1 p90 -138.23 152.15 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.638 ' HG3' HG22 ' A' ' 61' ' ' VAL . 31.1 ttp180 -137.06 127.7 26.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.714 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 pp -123.47 143.96 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -92.1 127.94 37.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.644 HG21 HD12 ' A' ' 60' ' ' LEU . 7.9 t -135.28 160.07 39.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -128.49 126.73 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.44 -176.94 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.38 4.34 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.3 -142.69 44.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.93 -32.81 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' ASP . 5.0 ptm -131.88 83.02 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.4 t70 35.37 43.85 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -132.3 160.82 35.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.43 136.39 41.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.629 HG23 ' HD2' ' A' ' 57' ' ' PRO . 37.6 mm -117.45 138.18 24.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.588 0.708 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 tp -98.08 125.23 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -108.58 101.25 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD13 HG22 ' A' ' 111' ' ' VAL . 10.0 mt -99.61 105.02 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.638 HG22 ' HG3' ' A' ' 43' ' ' ARG . 45.8 t -106.92 103.66 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.61 ' CD2' HG13 ' A' ' 107' ' ' VAL . 66.3 m-85 -100.77 127.9 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -116.22 120.02 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.635 HD22 ' CE2' ' A' ' 68' ' ' TYR . 2.6 mt -103.56 96.45 8.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HG2' ' SG ' ' A' ' 71' ' ' CYS . 53.8 Cg_endo -69.7 -168.2 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -63.29 -69.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' VAL . 5.2 m120 -33.85 -53.37 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.635 ' CE2' HD22 ' A' ' 64' ' ' LEU . 3.2 t80 -34.75 142.57 0.24 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.79 -11.3 11.91 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.375 -0.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' PRO . 28.6 m -34.12 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 65' ' ' PRO . 1.4 p -110.56 165.55 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.48 143.01 78.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HB3' HD23 ' A' ' 64' ' ' LEU . 53.9 Cg_endo -69.74 138.46 37.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.32 90.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.26 134.51 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.0 m -138.14 117.94 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 94' ' ' LEU . 21.8 mm -108.58 118.3 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -149.74 122.81 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 t -124.42 135.91 53.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.29 -10.29 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -104.91 -56.54 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 mt -57.7 163.58 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 48.7 p -97.98 175.4 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.3 -62.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.35 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -48.81 -25.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 m -88.68 -66.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -38.92 -33.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.0 m -63.87 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.422 HG13 ' CD1' ' A' ' 114' ' ' ILE . 48.9 t -38.84 -47.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HG2' HD23 ' A' ' 95' ' ' LEU . 68.1 tttt -59.24 -61.03 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 18.2 mt-10 -34.83 -45.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -67.39 -54.45 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 77' ' ' ILE . 38.0 mt -44.64 -41.13 6.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.1 mm? -54.3 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -41.12 -52.05 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.89 -55.08 39.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.679 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -36.92 -58.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' LEU . 20.2 mt-10 -42.21 -65.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 t -47.04 -28.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.46 30.22 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 99' ' ' GLU . 9.4 mt -65.19 159.24 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.8 m 51.59 26.85 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -153.03 160.68 30.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.25 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.234 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.679 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 6.5 ptp -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.61 HG13 ' CD2' ' A' ' 62' ' ' PHE . 54.3 t -41.51 -50.42 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.642 ' NE2' HD13 ' A' ' 22' ' ' ILE . 10.2 t-160 -67.42 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 110' ' ' LEU . 28.0 mt-10 -41.97 -63.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLU . 16.0 mt -36.36 -58.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.74 HG22 HD13 ' A' ' 60' ' ' LEU . 37.8 t -43.31 -49.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.604 HD11 ' NE2' ' A' ' 108' ' ' HIS . 10.6 mt -70.82 -33.56 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.568 HG23 ' N ' ' A' ' 115' ' ' GLN . 6.4 tp -61.65 -49.87 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.568 ' N ' HG23 ' A' ' 114' ' ' ILE . 4.0 mm100 -40.11 -40.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -88.18 -35.6 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -103.74 40.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' ILE . 45.7 tp -79.67 -49.52 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -44.6 -52.8 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.414 HD12 ' CD1' ' A' ' 114' ' ' ILE . 62.8 mt -65.81 -46.71 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.44 36.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 t -96.44 -43.85 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -54.27 130.83 61.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 147.18 62.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.345 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -110.14 161.33 15.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.7 m -89.7 94.63 9.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -116.35 163.05 16.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -123.23 120.44 33.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.23 89.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -140.5 148.23 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.826 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -108.85 118.33 36.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.27 -48.92 0.38 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 mmm -75.78 155.89 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.822 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -63.4 144.66 56.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.1 mm-40 -70.57 -59.38 3.89 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.74 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.822 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 61.6 t -53.31 -51.74 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 46.3 tt0 -53.45 -50.81 64.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . 16.7 mm-40 -48.98 -65.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' GLU . 21.7 tt0 -35.81 -50.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.91 -43.59 98.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 15.3 t -64.38 -52.16 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -48.22 -57.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.3 mt -48.07 -40.45 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -46.11 -34.73 4.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.96 -58.42 4.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 22' ' ' ILE . 3.0 mp -44.5 -56.03 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -79.66 -51.82 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' ALA . 46.9 t 43.47 37.85 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -140.42 139.19 20.03 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -14.08 35.51 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -98.05 -40.22 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 1.4 mp0 -76.06 -45.34 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.708 ' CE3' HG21 ' A' ' 44' ' ' ILE . 71.7 t-105 -99.72 118.97 37.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.663 ' H ' HG22 ' A' ' 44' ' ' ILE . 12.9 tt0 -144.39 124.07 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 42' ' ' PHE . 84.5 t -114.87 110.01 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.63 -61.58 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -152.27 143.16 23.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -134.16 136.23 43.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.5 m -121.11 166.8 13.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -65.12 -60.37 3.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.754 ' O ' HG12 ' A' ' 66' ' ' VAL . 4.5 t -125.9 -37.13 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -39.02 -40.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 145.85 158.25 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -124.94 124.8 42.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.87 127.62 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.594 ' HB3' HG13 ' A' ' 31' ' ' VAL . 40.5 p90 -148.92 149.4 31.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.729 ' HG3' HG22 ' A' ' 61' ' ' VAL . 20.4 ttt180 -131.07 102.79 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.708 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.0 pp -106.35 150.85 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.489 ' CD2' ' OE2' ' A' ' 59' ' ' GLU . 38.8 m170 -100.44 144.7 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 58' ' ' LEU . 11.7 t -140.98 154.59 46.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.51 136.12 54.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 118' ' ' LEU . . . -109.13 169.24 8.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.74 -14.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 53.25 -126.92 35.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 28.1 m-85 -147.04 116.39 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 mtm 74.97 45.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.72 28.8 18.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.79 100.04 9.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.26 127.17 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.2 mt -113.76 131.75 22.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.79 18.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 58' ' ' LEU . 3.8 mm? -116.82 162.15 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 45' ' ' HIS . 3.6 tp10 -136.1 106.78 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.04 118.15 31.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.729 HG22 ' HG3' ' A' ' 43' ' ' ARG . 97.6 t -112.65 103.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 95.9 m-85 -98.52 119.9 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -110.75 115.42 29.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD13 HG13 ' A' ' 12' ' ' VAL . 41.9 mt -94.67 105.09 16.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 37' ' ' THR . 19.0 m -91.07 -24.73 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' TYR . 5.5 m120 -80.66 -41.79 23.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.615 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -35.67 148.51 0.14 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.79 3.09 4.58 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.492 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 49.0 m -76.42 45.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 47.9 t -176.05 154.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.492 HD11 ' HG3' ' A' ' 99' ' ' GLU . 4.3 mm? -83.04 128.46 65.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 151.84 69.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.26 82.04 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 mt -78.3 138.65 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 t -142.2 134.76 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.6 mm -126.6 123.08 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -157.09 121.4 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.5 t -124.91 149.94 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.08 -27.15 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -87.91 -61.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 mt -55.47 146.69 19.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.4 p -82.12 169.57 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.7 ' O ' HG23 ' A' ' 88' ' ' VAL . 65.0 ttt180 -56.93 -65.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.55 -36.54 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.59 -65.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 p -48.7 -31.61 7.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 84' ' ' ARG . 93.0 t -66.15 -45.15 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.5 m -60.82 -40.98 94.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.3 t -55.57 -56.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HG2' HD23 ' A' ' 95' ' ' LEU . 39.2 tttt -53.46 -56.64 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -40.66 -42.45 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -63.14 -49.6 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.8 mt -54.68 -42.41 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.475 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.3 mm? -51.39 -55.16 20.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.92 -54.89 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -55.15 -47.67 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.13 -59.31 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 102' ' ' LEU . 28.3 mt-10 -46.43 -64.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -52.21 -35.76 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 10.1 mt -91.81 38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 99' ' ' GLU . 3.8 mt -75.84 162.35 28.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 t 56.65 39.82 29.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.5 pt-20 -166.62 155.47 9.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.88 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -85.02 -31.67 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 111' ' ' VAL . 96.3 t -35.76 -51.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -71.02 -54.31 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' LEU . 67.3 mm-40 -47.0 -66.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.483 HD13 ' HE1' ' A' ' 62' ' ' PHE . 13.7 mt -35.66 -63.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 107' ' ' VAL . 86.7 t -36.7 -57.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.8 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.531 ' CZ3' HD11 ' A' ' 121' ' ' ILE . 87.0 t90 -46.42 -67.93 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 121' ' ' ILE . 4.9 tp -53.53 -41.8 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -54.52 -27.79 40.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -94.82 -51.26 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.45 ' OD1' ' CD2' ' A' ' 113' ' ' TRP . 0.5 OUTLIER -89.28 35.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.442 HD13 ' C ' ' A' ' 118' ' ' LEU . 1.1 tm? -60.95 -67.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 17.5 ptt180 -59.11 -46.92 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.428 ' N ' ' HG3' ' A' ' 119' ' ' ARG . 3.3 t-80 -42.28 -46.84 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 114' ' ' ILE . 78.8 mt -64.69 -64.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.46 -34.69 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 t -96.75 73.89 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -123.29 155.78 64.49 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 3.2 2.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 73.16 36.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.6 p -92.2 109.46 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -165.37 145.84 7.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 m -123.09 151.45 42.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.51 118.81 3.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -120.38 116.17 24.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -127.18 151.64 48.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.11 124.53 1.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.431 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -124.56 -17.64 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -174.97 128.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.564 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 6.0 mt-10 -72.03 -56.59 4.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.678 0.751 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.1 Cg_endo -69.77 -52.25 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.322 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 37.7 t -47.12 -45.28 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 20.5 mt-10 -61.16 -60.98 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -42.5 -48.97 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.447 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 95.3 mt -58.57 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -43.81 -56.14 4.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 85.4 t -47.82 -56.48 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.805 HD11 HG11 ' A' ' 107' ' ' VAL . 14.7 mt -48.21 -54.17 14.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -49.86 -28.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -74.33 -47.03 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.499 HD13 ' CD2' ' A' ' 108' ' ' HIS . 50.2 mt -58.11 -30.8 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 24' ' ' CYS . 81.8 m-85 -99.22 -60.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.469 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.3 m 32.3 40.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' PHE . 15.0 mtp85 -106.33 153.37 40.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 105.56 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.8 m80 74.77 39.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -119.23 -30.23 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.78 ' CE3' HG21 ' A' ' 44' ' ' ILE . 26.9 t-105 -110.56 111.53 22.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -126.47 140.5 52.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.706 HG23 ' HB3' ' A' ' 42' ' ' PHE . 2.4 p -127.74 106.09 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.56 -66.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.0 t -145.29 160.5 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -140.82 118.05 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.816 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 48.7 m -117.99 166.9 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.67 -54.85 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -99.35 -43.19 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 8.4 m-20 -56.3 -19.26 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.65 -163.21 12.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.0 m -145.71 126.47 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -126.98 133.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.706 ' HB3' HG23 ' A' ' 31' ' ' VAL . 13.4 p90 -149.26 147.58 28.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -124.91 116.59 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.78 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -111.39 148.37 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.862 HG21 HD12 ' A' ' 60' ' ' LEU . 7.3 t -133.78 157.71 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -134.38 135.24 42.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -99.51 171.41 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.94 -9.84 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.525 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 66.43 -148.29 50.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -122.33 -54.02 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.615 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -105.39 74.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' MET . 0.1 OUTLIER 35.11 50.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.615 ' HB3' ' SD ' ' A' ' 52' ' ' MET . . . -144.69 119.37 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.1 120.49 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.525 HD12 ' HA2' ' A' ' 50' ' ' GLY . 30.3 mt -91.76 131.75 34.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 93.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.412 ' HB3' HG23 ' A' ' 46' ' ' THR . 1.3 tt -100.9 142.65 32.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -116.1 120.36 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.862 HD12 HG21 ' A' ' 46' ' ' THR . 3.8 mt -115.75 131.27 56.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.28 107.85 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 75' ' ' ILE . 91.2 m-85 -98.78 138.52 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -119.66 131.76 55.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 44.1 mt -106.32 96.75 14.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.4 Cg_endo -69.82 -164.69 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.3 m -94.95 -13.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 71' ' ' CYS . 88.0 m-20 -85.09 -43.26 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.96 150.14 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.701 0.763 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.75 1.08 5.47 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.344 -0.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.489 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.3 t -78.79 44.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 67' ' ' ASN . 5.7 t -175.27 170.8 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -93.92 131.24 32.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.4 50.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.32 92.63 0.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 62' ' ' PHE . 92.1 mt -89.38 138.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -130.86 109.61 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.04 124.19 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -155.48 119.94 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.533 ' HB3' HD12 ' A' ' 82' ' ' LEU . 1.9 t -126.06 124.62 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' GLU . 8.8 tm-20 -42.83 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 79' ' ' SER . 7.3 mm100 -87.89 -57.32 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 79' ' ' SER . 44.6 mt -57.21 175.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -117.67 178.35 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 88' ' ' VAL . 14.8 ttm180 -59.65 -60.32 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.5 -56.69 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -48.49 -53.22 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' VAL . 33.3 m -51.87 -59.28 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 84' ' ' ARG . 88.5 t -37.47 -44.45 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -58.61 -50.34 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.06 -55.67 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 12.4 tmtt? -48.94 -51.88 27.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 51.8 mm-40 -50.19 -44.8 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -57.85 -60.9 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD22 HG21 ' A' ' 75' ' ' ILE . 3.9 mp -41.47 -44.62 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.468 ' CD2' ' HE2' ' A' ' 91' ' ' LYS . 4.3 mm? -60.5 -52.42 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -48.06 -44.17 31.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' ALA . 7.6 mm100 -65.49 -53.68 39.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.629 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -35.69 -55.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -39.4 -59.29 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.3 mt -98.86 36.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.88 174.45 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t 41.98 27.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -148.34 161.39 34.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 84.98 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.629 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 19.9 ptp -81.59 -39.17 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 19' ' ' LEU . 42.3 t -33.88 -59.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.499 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.7 t-160 -64.84 -67.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.6 mt-10 -36.73 -64.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 75' ' ' ILE . 14.8 mt -38.4 -63.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG22 HD13 ' A' ' 60' ' ' LEU . 21.6 t -36.65 -60.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.439 HD23 ' OE1' ' A' ' 115' ' ' GLN . 45.9 mt -58.05 -45.55 86.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -49.84 -59.06 4.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 121' ' ' ILE . 5.6 tp -67.08 -37.59 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.439 ' OE1' HD23 ' A' ' 112' ' ' LEU . 41.5 mt-30 -48.47 -33.07 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -104.53 -36.39 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -95.12 45.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.4 HD13 ' CB ' ' A' ' 48' ' ' ALA . 10.4 tt -87.74 -55.24 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.56 -32.0 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -59.19 -35.39 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 114' ' ' ILE . 77.4 mt -66.57 -50.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.66 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.8 m 61.91 35.31 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -125.37 80.83 64.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.725 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 87.01 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -90.71 144.81 25.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.8 t -172.09 131.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -72.91 -56.95 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.844 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.2 m -153.04 126.87 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.19 85.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -128.29 110.35 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -44.15 137.27 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.32 -151.03 17.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.406 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -104.35 -31.86 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.83 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.883 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -134.3 159.7 40.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 15.8 mt-10 -73.25 -60.88 1.61 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.1 Cg_endo -69.71 -40.61 5.19 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.883 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 92.4 t -53.44 -52.95 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -60.13 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mt-10 -46.84 -46.2 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -52.36 -58.56 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -51.38 -45.57 62.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t -61.09 -61.01 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 95.9 t -48.0 -51.12 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.671 HD21 ' HB2' ' A' ' 108' ' ' HIS . 30.0 mt -54.11 -56.91 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -41.85 -33.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -58.9 -52.72 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.45 -39.29 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ARG . 48.4 m-85 -83.03 -7.06 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' ALA . 52.0 t -39.46 -25.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' PHE . 57.6 mtt180 -39.17 159.95 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.679 0.752 . . . . 0.0 110.847 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.31 4.03 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.317 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 62.97 44.47 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -128.48 -7.23 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CE3' HG21 ' A' ' 44' ' ' ILE . 68.8 t-105 -127.25 105.71 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 44' ' ' ILE . 2.5 tp10 -130.14 140.47 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 42' ' ' PHE . 2.1 p -130.08 108.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.6 mt -51.82 -61.05 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.0 t -145.98 141.44 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -133.54 113.15 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 43.5 m -106.0 167.39 9.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.42 -54.06 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.685 ' O ' HG12 ' A' ' 66' ' ' VAL . 4.6 t -111.29 -38.48 4.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 4.1 m-20 -50.82 -32.48 20.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.47 -168.7 24.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -149.15 123.89 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.1 t -131.69 145.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 31' ' ' VAL . 12.8 p90 -163.41 162.52 24.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -139.14 107.19 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.87 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.0 pp -109.31 152.16 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -88.44 128.23 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 1.014 HG21 HD12 ' A' ' 60' ' ' LEU . 13.3 t -130.79 153.93 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -123.69 161.89 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' A' ' 118' ' ' LEU . . . -135.85 167.35 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLY . 10.1 mm-40 -62.75 85.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.33 151.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.35 -37.32 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 ptp -114.55 37.35 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.04 54.66 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.86 116.02 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 112.67 0.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 59.2 mt -102.38 132.47 21.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.18 15.67 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.2 mt -130.09 151.38 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.72 ' OE1' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -117.77 107.86 14.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.014 HD12 HG21 ' A' ' 46' ' ' THR . 6.0 mt -114.91 115.02 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.72 HG23 ' OE1' ' A' ' 59' ' ' GLU . 80.5 t -112.15 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -92.97 120.6 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.55 114.9 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD21 HG21 ' A' ' 107' ' ' VAL . 38.2 mt -95.5 104.48 15.95 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.1 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 37' ' ' THR . 30.5 m -87.62 -29.86 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 68' ' ' TYR . 40.2 m-80 -71.17 -44.55 65.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -33.18 146.32 0.1 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.713 0.768 . . . . 0.0 110.938 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.564 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.74 2.12 4.98 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.472 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.5 m -80.0 43.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 46.3 t -175.19 151.49 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.59 124.48 79.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.29 44.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.55 93.59 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.577 HG21 HD22 ' A' ' 94' ' ' LEU . 59.7 mt -91.11 142.56 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -130.86 146.13 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.534 HD11 HD21 ' A' ' 60' ' ' LEU . 30.1 mm -136.49 116.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.22 119.9 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.536 ' HB3' HD12 ' A' ' 82' ' ' LEU . 3.0 t -126.12 140.0 52.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.27 -33.34 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -82.08 -57.1 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.632 HD21 HD11 ' A' ' 122' ' ' LEU . 16.6 mt -43.52 164.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -107.06 155.98 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 88' ' ' VAL . 9.9 ttt85 -49.38 -38.67 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.06 -45.18 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' VAL . 30.6 mt-30 -68.26 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' GLN . 20.5 p -36.17 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 84' ' ' ARG . 95.4 t -79.24 -54.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -47.1 -41.36 17.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.811 ' HA ' HG21 ' A' ' 121' ' ' ILE . 61.2 t -62.21 -54.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HE2' HD21 ' A' ' 95' ' ' LEU . 11.1 tmtt? -54.04 -47.08 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 5.3 mm-40 -49.52 -47.01 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -59.48 -56.87 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.577 HD22 HG21 ' A' ' 75' ' ' ILE . 4.4 mp -39.12 -54.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.496 HD21 ' HE2' ' A' ' 91' ' ' LYS . 4.6 mm? -52.24 -59.14 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -41.87 -36.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm100 -72.58 -50.05 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -35.19 -56.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -38.41 -64.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -51.45 -39.31 57.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -90.65 40.23 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.88 175.98 8.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.0 t 43.91 26.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -153.1 161.45 29.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.78 -31.0 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.624 HG21 HD21 ' A' ' 64' ' ' LEU . 49.1 t -41.84 -50.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.671 ' HB2' HD21 ' A' ' 19' ' ' LEU . 18.0 t-80 -74.01 -63.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 110' ' ' LEU . 26.4 mm-40 -41.23 -62.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.442 HD13 HD11 ' A' ' 75' ' ' ILE . 19.1 mt -35.65 -54.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.9 t -47.41 -55.2 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.571 HD23 ' OE1' ' A' ' 115' ' ' GLN . 69.5 mt -61.73 -45.88 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -53.42 -52.79 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.572 ' CD1' HD12 ' A' ' 121' ' ' ILE . 8.8 tp -69.07 -40.19 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.571 ' OE1' HD23 ' A' ' 112' ' ' LEU . 53.5 mt-30 -46.15 -39.23 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -97.21 -41.64 8.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -88.83 41.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 48' ' ' ALA . 13.8 tp -86.51 -41.84 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.3 ptt-85 -66.02 -41.34 91.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -51.0 -57.34 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.811 HG21 ' HA ' ' A' ' 90' ' ' VAL . 75.1 mt -57.93 -39.43 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 82' ' ' LEU . 14.6 mt -82.15 39.7 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.0 p -88.18 -44.66 10.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -51.88 115.12 6.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.935 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 89.9 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.641 2.228 . . . . 0.0 112.299 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -83.15 83.36 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 t -162.24 135.89 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.3 p -149.74 121.75 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -156.25 119.1 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.9 74.64 1.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -123.13 43.04 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -71.41 154.66 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.63 76.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 tpt -101.13 160.14 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.581 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -54.04 166.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.505 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.9 mt-10 -71.72 -60.0 2.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.649 0.737 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.4 Cg_endo -69.75 -51.16 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.581 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 36.1 t -41.98 -50.01 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -63.0 -50.87 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 18' ' ' VAL . 14.5 mt-10 -47.37 -57.23 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' SER . 30.0 tt0 -55.64 -60.07 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' GLU . 46.4 mt -34.19 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 32.9 t -85.62 -54.52 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 14' ' ' GLU . 1.2 m -51.05 -38.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.765 ' HA ' HD12 ' A' ' 22' ' ' ILE . 12.7 mt -66.67 -58.01 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.05 -31.33 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.2 79.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 19' ' ' LEU . 18.0 mt -48.47 -53.73 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -79.6 -32.73 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.6 p 39.05 37.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -139.41 137.57 19.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -26.55 27.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.615 2.21 . . . . 0.0 112.31 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -81.66 -40.15 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 44' ' ' ILE . 16.0 mt-10 -73.76 -43.2 59.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.792 ' HA ' HG22 ' A' ' 44' ' ' ILE . 72.0 t-105 -98.43 110.44 23.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -135.77 124.18 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' A' ' 34' ' ' ARG . 2.8 p -105.64 97.13 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -44.39 -54.15 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -152.78 132.85 13.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' VAL . 17.3 ptt85 -122.76 121.2 35.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 2.8 m -117.67 163.9 15.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.12 -46.42 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.9 t -108.19 -44.42 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 37' ' ' THR . 5.8 t0 -50.11 -46.83 54.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.33 170.52 11.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -119.47 115.49 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 31' ' ' VAL . 98.6 t -117.4 138.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.7 147.61 26.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.555 ' CB ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.84 119.74 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.792 HG22 ' HA ' ' A' ' 29' ' ' TRP . 2.9 pp -115.75 152.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -92.57 136.57 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.873 HG21 HD12 ' A' ' 60' ' ' LEU . 14.6 t -137.2 145.36 43.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -120.33 145.39 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.493 ' HB2' HD11 ' A' ' 58' ' ' LEU . . . -105.87 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.94 -10.88 60.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.54 131.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -52.48 -47.44 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.3 ptm -102.29 40.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t0 58.74 46.7 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.67 110.03 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.3 114.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 57' ' ' PRO . 23.2 mm -94.57 136.99 22.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.73 96.8 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 48' ' ' ALA . 9.7 mt -103.09 163.47 12.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' OE1' HG23 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -137.9 126.11 23.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.873 HD12 HG21 ' A' ' 46' ' ' THR . 6.0 mt -128.5 123.08 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG22 ' CB ' ' A' ' 43' ' ' ARG . 89.7 t -119.86 109.12 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.845 ' CD2' HG13 ' A' ' 107' ' ' VAL . 95.6 m-85 -104.51 140.55 37.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -124.8 123.09 39.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 52.7 mt -105.35 96.6 11.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.9 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m -87.41 -29.53 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -75.57 -40.99 55.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.561 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -41.88 145.77 0.68 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.94 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.77 -13.73 12.44 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.376 -0.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' PRO . 5.6 t -34.17 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.64 173.47 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.29 131.33 38.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 140.12 41.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.84 112.48 4.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.502 HG12 ' CD1' ' A' ' 62' ' ' PHE . 55.0 mt -110.61 141.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -137.73 138.08 38.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 60' ' ' LEU . 23.9 mm -129.0 121.91 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.95 119.76 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.3 t -126.21 140.69 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.52 -26.58 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -89.98 -61.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 86' ' ' GLN . 31.3 mt -38.92 152.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 p -102.84 155.45 18.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.725 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -42.74 -45.59 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.1 97.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' VAL . 92.0 mt-30 -72.55 -64.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 86' ' ' GLN . 12.8 p -35.98 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 84' ' ' ARG . 95.0 t -80.55 -51.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -49.71 -47.96 50.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.69 -54.14 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -56.58 -58.62 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 18.6 mm-40 -40.13 -55.66 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -52.06 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.86 -49.51 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.412 HD21 ' HB ' ' A' ' 75' ' ' ILE . 4.5 mm? -56.46 -50.77 70.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -52.69 -47.83 66.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm-40 -62.6 -48.72 78.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.757 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -36.53 -59.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ALA . 8.7 mt-10 -36.73 -65.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.6 m -48.02 -31.54 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' ALA . 10.6 mt -96.03 36.23 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.401 ' O ' ' OE2' ' A' ' 104' ' ' GLU . 8.6 mt -70.65 159.79 33.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m 57.44 44.96 20.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.9 pt-20 -173.48 156.76 2.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 87.33 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.757 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 22.5 ptp -80.08 -40.89 26.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.845 HG13 ' CD2' ' A' ' 62' ' ' PHE . 59.4 t -33.61 -55.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -64.4 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -39.41 -59.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.4 mt -44.84 -58.52 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 107' ' ' VAL . 92.5 t -39.81 -44.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.66 -43.44 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -54.99 -52.68 62.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.798 HD12 HD12 ' A' ' 121' ' ' ILE . 7.5 tp -66.66 -44.02 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.484 ' N ' HG23 ' A' ' 114' ' ' ILE . 43.4 mt-30 -45.19 -44.42 10.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.12 -46.16 9.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.48 38.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.764 ' O ' HD13 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -72.53 -39.86 67.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.959 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -84.43 -41.18 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -51.41 -33.82 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.798 HD12 HD12 ' A' ' 114' ' ' ILE . 96.5 mt -75.09 -48.73 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 123' ' ' SER . 10.0 mp -66.82 -60.32 2.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' LEU . 38.1 m -34.24 -56.41 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -65.67 143.67 98.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.03 17.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -118.98 162.9 17.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.4 m -83.39 127.8 33.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -87.17 94.08 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -59.94 -46.2 90.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.99 -94.73 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -170.18 157.85 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -121.97 99.43 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.77 68.38 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mmt -139.11 167.57 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.928 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -124.89 135.72 53.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.649 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.4 mt-10 -61.41 -51.96 73.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.7 Cg_endo -69.73 -21.65 33.33 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.928 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 38.8 t -83.56 -38.41 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -78.94 -55.07 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 18' ' ' VAL . 9.4 pt-20 -47.26 -31.16 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HA ' HG12 ' A' ' 18' ' ' VAL . 11.6 tt0 -74.35 -47.62 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 40' ' ' THR . 84.7 mt -60.63 -28.78 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -87.2 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 14' ' ' GLU . 7.2 p -40.63 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.9 mt -83.12 -48.85 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.5 -26.28 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -57.45 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.98 -45.94 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.59 -4.18 57.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -39.12 -31.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -43.28 154.31 0.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.87 16.64 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 65.37 41.11 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.8 mm-40 -131.0 -32.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.512 ' HA ' HG22 ' A' ' 44' ' ' ILE . 53.2 t-105 -105.52 104.12 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -126.07 106.96 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.848 HG23 ' HB3' ' A' ' 42' ' ' PHE . 4.1 p -104.96 103.09 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -40.67 -57.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -156.36 152.2 27.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.57 111.49 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 46.5 m -121.97 164.97 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -83.72 -50.38 8.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.462 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -105.35 -39.6 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 1.0 OUTLIER -59.34 -14.28 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.9 168.43 28.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.505 HG21 HD21 ' A' ' 16' ' ' LEU . 28.4 m -124.57 125.33 44.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.158 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.77 129.52 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.848 ' HB3' HG23 ' A' ' 31' ' ' VAL . 5.8 p90 -147.4 160.48 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -139.74 132.08 28.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.3 pp -129.3 146.21 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -89.48 123.83 33.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.583 HG21 HD12 ' A' ' 60' ' ' LEU . 12.7 t -129.33 152.57 48.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -127.08 132.74 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -100.85 177.71 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.34 -9.8 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.609 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 51.97 -126.54 30.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 27.3 m-85 -148.99 116.84 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 ttm 73.12 52.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 53.39 29.75 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.59 101.54 9.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.38 135.72 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.609 HD12 ' HA2' ' A' ' 50' ' ' GLY . 67.5 mt -118.22 132.39 23.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.76 116.91 4.78 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 118' ' ' LEU . 25.6 mt -117.52 132.48 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -110.8 100.63 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.583 HD12 HG21 ' A' ' 46' ' ' THR . 9.6 mt -102.64 118.46 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -113.5 105.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.891 ' CD2' HG13 ' A' ' 107' ' ' VAL . 55.2 m-85 -96.78 126.93 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -117.21 115.57 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.07 105.78 19.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 37' ' ' THR . 5.6 m -97.71 -9.9 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -94.54 -37.43 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -41.92 149.81 0.4 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.71 -14.91 12.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.339 -0.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' PRO . 14.6 t -34.4 -46.62 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 t -106.71 167.36 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.464 HD13 ' OE1' ' A' ' 99' ' ' GLU . 22.0 mt -85.56 138.08 36.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.66 65.42 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.67 106.32 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.49 ' HB ' HD21 ' A' ' 95' ' ' LEU . 31.8 mt -104.47 141.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 t -142.85 121.37 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.69 118.07 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -148.55 120.0 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 t -125.87 148.62 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.9 -26.57 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -87.71 -58.17 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.7 140.12 19.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.4 p -84.12 156.44 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.609 ' O ' HG23 ' A' ' 88' ' ' VAL . 18.9 ttp-105 -43.07 -41.2 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.42 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -74.98 -64.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 p -39.92 -29.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.6 t -75.27 -52.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.4 m -47.09 -57.72 4.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -46.49 -65.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 12.6 tmtt? -45.25 -50.34 11.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 13.3 mt-10 -51.35 -33.96 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -73.61 -54.49 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.64 -52.4 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.49 HD21 ' HB ' ' A' ' 75' ' ' ILE . 4.4 mm? -51.59 -52.42 47.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -50.23 -44.2 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -62.83 -51.15 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.464 ' OE1' HD13 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -42.66 -58.93 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 t -64.7 -30.25 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.7 34.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.12 176.22 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 44.17 31.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -162.26 160.47 21.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 105.96 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -100.17 -24.61 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.891 HG13 ' CD2' ' A' ' 62' ' ' PHE . 92.6 t -44.55 -46.39 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -76.42 -65.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -37.9 -53.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 114' ' ' ILE . 45.1 mt -48.51 -46.36 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.499 HG22 HD13 ' A' ' 60' ' ' LEU . 39.3 t -58.83 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.6 mt -53.01 -24.65 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.444 ' O ' ' CG ' ' A' ' 117' ' ' ASN . 46.6 t90 -69.77 -67.54 0.48 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.693 ' CD1' HD12 ' A' ' 121' ' ' ILE . 3.2 tp -60.89 -51.72 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.611 ' N ' HG23 ' A' ' 114' ' ' ILE . 16.4 mm100 -47.42 -24.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -98.1 -38.55 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 113' ' ' TRP . 0.9 OUTLIER -119.59 55.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.508 ' CD2' HD12 ' A' ' 122' ' ' LEU . 6.1 tt -82.52 -43.98 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -55.94 -42.89 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -45.56 -57.55 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.693 HD12 ' CD1' ' A' ' 114' ' ' ILE . 96.6 mt -58.55 -43.72 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.508 HD12 ' CD2' ' A' ' 118' ' ' LEU . 20.6 mt -83.67 35.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.6 t -99.32 -45.1 5.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -89.99 143.91 30.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.6 17.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -124.64 121.14 33.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -158.05 151.08 22.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.533 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -155.96 168.14 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -155.89 173.2 17.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.0 105.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -146.6 148.29 31.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -47.16 173.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.41 118.36 2.89 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mmt -95.92 150.37 20.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -61.54 136.2 57.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.624 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.6 mt-10 -37.95 -53.26 2.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.85 -50.89 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.847 HG23 ' CE1' ' A' ' 68' ' ' TYR . 10.3 t -43.9 -22.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' PRO . 8.6 tt0 -88.02 -55.69 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.1 pt-20 -57.65 -32.29 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -47.38 81.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.21 -42.73 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 62.1 p -75.05 -63.45 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 14' ' ' GLU . 72.0 t -44.62 -55.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.592 HD22 ' HE2' ' A' ' 23' ' ' PHE . 58.9 mt -49.93 -33.55 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -64.02 -29.41 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.38 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.72 -41.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.592 ' HE2' HD22 ' A' ' 19' ' ' LEU . 23.8 m-85 -92.6 -0.25 57.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' ALA . 6.8 t -35.12 -32.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 23' ' ' PHE . 13.8 mmm180 -36.72 150.22 0.14 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 129.8 18.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 62.2 43.4 8.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -132.45 -32.76 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.665 ' CE3' HG21 ' A' ' 44' ' ' ILE . 33.3 t-105 -103.03 118.24 36.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -138.95 137.72 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG13 ' HB3' ' A' ' 42' ' ' PHE . 94.7 t -115.9 96.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.2 mt -38.03 -67.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -163.02 157.48 20.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -130.16 113.47 14.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 2.6 m -100.03 159.8 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.55 -44.96 12.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.2 t -97.83 -49.37 4.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.57 ' N ' HG23 ' A' ' 37' ' ' THR . 6.3 m-20 -55.84 -37.27 68.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.42 178.86 15.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.485 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.0 m -97.5 129.82 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.92 144.33 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' HB3' HG13 ' A' ' 31' ' ' VAL . 51.0 p90 -163.68 146.32 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' A' ' 61' ' ' VAL . 34.5 ttm180 -123.53 118.89 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.665 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.7 pp -124.26 151.26 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -104.07 130.1 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -124.29 163.58 21.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 12.3 pttp -131.29 124.61 30.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' N ' HE22 ' A' ' 115' ' ' GLN . . . -102.04 159.6 15.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -58.69 85.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.18 144.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 119' ' ' ARG . 12.0 m-85 -52.58 -18.22 1.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 ptp -120.88 34.36 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 55.73 53.16 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.91 119.79 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.52 134.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 57' ' ' PRO . 30.4 mt -121.08 138.52 27.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.81 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 mt -128.95 133.58 47.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' OE2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -111.32 114.22 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 7.0 mt -116.45 128.52 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.493 HG22 ' HG3' ' A' ' 43' ' ' ARG . 20.9 t -127.06 101.16 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.859 ' CG ' HG13 ' A' ' 107' ' ' VAL . 84.3 m-85 -93.23 145.21 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -127.34 111.43 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.934 HD21 HG21 ' A' ' 107' ' ' VAL . 12.6 mt -102.91 96.5 7.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -168.33 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.635 2.223 . . . . 0.0 112.369 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.5 m -86.94 -17.03 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 70' ' ' SER . 29.7 m-20 -80.7 -44.47 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.847 ' CE1' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -47.36 149.22 1.96 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.7 -14.88 12.42 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' PRO . 1.4 t -34.38 -45.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 98.0 m -112.96 154.4 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.78 137.83 87.94 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 175.39 8.14 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.35 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.2 84.21 0.4 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.636 HG21 HD13 ' A' ' 94' ' ' LEU . 24.6 mt -73.43 143.55 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -137.3 121.38 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' A' ' 94' ' ' LEU . 42.8 mm -116.74 117.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.66 119.97 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.733 ' HB3' HD12 ' A' ' 82' ' ' LEU . 1.8 t -126.03 139.19 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.42 -25.83 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -88.96 -52.26 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' A' ' 79' ' ' SER . 18.7 mt -61.64 149.03 40.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.6 p -86.16 -178.65 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 88' ' ' VAL . 9.9 ttm180 -66.24 -55.74 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.32 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -68.59 -63.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 88' ' ' VAL . 1.4 p -45.63 -44.56 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.3 t -60.51 -43.61 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.4 m -58.76 -48.54 80.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.1 t -54.95 -60.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 95' ' ' LEU . 20.0 tttt -47.66 -58.8 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.41 -43.78 16.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -63.38 -59.93 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.636 HD13 HG21 ' A' ' 75' ' ' ILE . 24.1 mt -40.6 -44.3 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 91' ' ' LYS . 4.3 mm? -51.22 -64.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -40.59 -57.6 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -48.3 -57.69 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' LEU . 30.6 mt-10 -39.98 -68.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.4 t -45.51 -32.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.5 30.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.1 mt -66.84 173.68 3.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.448 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 7.1 m 40.73 25.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 102' ' ' LEU . 4.3 mt-10 -150.06 161.44 31.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 114.09 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.431 ' HB2' ' CD1' ' A' ' 110' ' ' LEU . 16.9 ptp -111.74 -45.53 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.934 HG21 HD21 ' A' ' 64' ' ' LEU . 38.6 t -35.27 -44.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -74.88 -65.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.0 mm-40 -46.23 -60.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 106' ' ' MET . 53.9 mt -35.21 -56.19 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 107' ' ' VAL . 66.6 t -48.68 -58.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.53 -32.46 68.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.51 ' CH2' HD11 ' A' ' 121' ' ' ILE . 61.4 t90 -68.02 -45.79 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.481 HD12 HD12 ' A' ' 121' ' ' ILE . 8.0 tp -74.93 -31.7 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.411 HE22 ' N ' ' A' ' 48' ' ' ALA . 4.2 mm100 -65.15 -27.72 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -101.82 -39.78 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -97.32 39.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.12 -52.63 13.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 119' ' ' ARG . 3.9 ptm85 -64.36 -40.97 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -55.05 -44.85 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.51 HD11 ' CH2' ' A' ' 113' ' ' TRP . 77.7 mt -74.45 -41.92 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.18 36.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.7 t -112.68 60.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -129.5 143.57 49.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 97.86 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -104.76 149.33 25.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 29.3 m -140.45 109.96 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -57.32 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -130.83 156.88 44.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 -107.3 1.51 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 p -144.68 166.93 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -105.3 -49.35 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.88 70.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -142.02 175.01 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.309 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.74 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -61.06 171.07 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.5 mt-10 -65.99 -60.06 7.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.518 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.74 -24.36 29.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.74 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 22.7 t -78.12 -21.62 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -90.28 -47.68 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 1.033 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.1 pp20? -51.82 -40.06 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 16' ' ' LEU . 14.9 tt0 -60.19 -68.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 15' ' ' GLU . 75.6 mt -33.73 -38.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' GLU . 16.3 t -79.81 -51.09 9.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 1.033 HG23 ' O ' ' A' ' 14' ' ' GLU . 46.4 t -51.67 -34.59 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.16 -44.85 90.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.61 -22.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.11 -50.95 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 108' ' ' HIS . 73.0 mt -43.93 -45.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -85.66 -51.62 6.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.9 t 39.03 34.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -104.06 147.32 34.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.818 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.48 7.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 60.9 33.77 19.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -112.59 -18.45 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.719 ' CE3' HG21 ' A' ' 44' ' ' ILE . 33.1 t-105 -113.29 110.12 19.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -127.52 132.64 49.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.586 HG11 ' HD2' ' A' ' 34' ' ' ARG . 38.9 t -117.36 102.58 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.0 -64.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -161.45 154.57 21.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' HD2' HG11 ' A' ' 31' ' ' VAL . 26.9 mtp180 -127.16 110.09 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 35.6 m -121.9 151.48 40.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -81.03 -65.4 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 38' ' ' ASP . 7.8 t -67.91 -49.95 58.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.554 ' N ' HG23 ' A' ' 37' ' ' THR . 2.5 t70 -64.03 -32.06 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.93 165.75 17.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.415 HG23 ' HG2' ' A' ' 34' ' ' ARG . 28.8 m -97.16 126.4 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.69 146.41 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -162.83 161.58 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.548 ' NH1' HG21 ' A' ' 61' ' ' VAL . 12.2 ttt85 -139.93 110.91 6.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.719 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.4 pp -112.14 150.2 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -96.07 130.24 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.525 ' CG2' HD23 ' A' ' 58' ' ' LEU . 1.4 t -132.92 158.15 43.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -130.55 134.19 46.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.81 -177.3 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.73 -6.1 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.54 -160.73 53.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -112.3 -52.5 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.342 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.8 ptm -99.11 39.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 64.26 42.18 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.44 118.48 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -47.09 127.49 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 57' ' ' PRO . 47.9 mm -108.94 138.66 20.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.4 Cg_endo -69.79 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.525 HD23 ' CG2' ' A' ' 46' ' ' THR . 59.0 tp -99.71 141.27 32.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -122.9 124.7 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.81 125.73 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.548 HG21 ' NH1' ' A' ' 43' ' ' ARG . 53.2 t -116.13 104.45 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.7 ' CD2' HG13 ' A' ' 107' ' ' VAL . 61.8 m-85 -97.28 150.48 20.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -136.47 120.44 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD21 HG21 ' A' ' 107' ' ' VAL . 6.4 mt -104.17 96.6 9.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.76 -164.8 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 67' ' ' ASN . 32.4 m -85.33 -39.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' SER . 6.5 m120 -67.62 -41.41 84.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.649 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.69 150.12 0.73 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.692 0.758 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.73 -8.48 10.47 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.363 -0.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 3.1 t -37.53 -46.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.6 t -107.32 162.54 13.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' A' ' 98' ' ' ALA . 4.3 mm? -70.44 133.95 86.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 157.65 59.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.376 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.32 91.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.19 143.86 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -138.76 143.87 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -128.14 113.1 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -156.74 119.98 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -125.99 155.41 41.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.83 -13.49 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' LEU . 7.5 mt-30 -103.4 -73.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' GLN . 68.6 mt -37.42 153.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 p -100.84 -179.61 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -58.07 -58.38 8.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.72 -61.32 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -43.06 -47.34 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.4 m -55.99 -56.91 15.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.7 t -40.47 -44.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.8 m -64.57 -66.03 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 94' ' ' LEU . 92.0 t -39.9 -52.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.482 ' HG2' HD23 ' A' ' 95' ' ' LEU . 44.4 tttt -60.97 -57.93 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -45.13 -24.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -85.38 -32.41 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 90' ' ' VAL . 4.1 mp -71.3 -35.99 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.3 mm? -66.52 -53.18 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 97' ' ' GLN . 6.5 pt-20 -52.55 -37.44 57.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 1.9 mp0 -71.63 -43.83 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.692 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -45.18 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.15 -64.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 t -51.34 -34.4 33.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 mt -89.55 25.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.4 mt -62.05 171.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t 40.89 25.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 102' ' ' LEU . 10.4 mt-10 -147.09 159.44 42.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.431 ' CB ' ' OE2' ' A' ' 15' ' ' GLU . 53.7 Cg_endo -69.76 82.88 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.692 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 20.7 ptp -81.51 -23.94 37.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.7 HG13 ' CD2' ' A' ' 62' ' ' PHE . 66.0 t -52.77 -49.45 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 22' ' ' ILE . 6.8 t-80 -71.85 -63.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -42.15 -59.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.9 mt -39.33 -50.65 2.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 107' ' ' VAL . 80.6 t -52.64 -43.99 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -80.92 -10.69 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.663 ' CH2' HD11 ' A' ' 121' ' ' ILE . 47.6 t90 -81.57 -58.58 2.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 115' ' ' GLN . 6.4 tp -60.54 -46.47 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.499 ' N ' HG23 ' A' ' 114' ' ' ILE . 41.7 mt-30 -37.84 -39.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -97.65 -38.62 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.469 ' O ' HD12 ' A' ' 121' ' ' ILE . 15.0 m-80 -93.24 44.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 118' ' ' LEU . 7.3 tt -97.3 -34.43 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -90.18 -52.42 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -45.4 -38.51 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.663 HD11 ' CH2' ' A' ' 113' ' ' TRP . 67.0 mt -67.85 -47.44 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.5 mt -85.05 30.91 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 t -49.15 -50.44 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -97.62 144.43 27.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 144.93 55.64 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -109.47 128.59 55.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.1 m -63.77 -53.48 50.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 3' ' ' SER . 7.4 t -126.6 140.64 52.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.886 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 2' ' ' SER . 16.2 t -36.86 141.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 -71.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 38.9 m -57.39 -51.34 69.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 20.4 m -37.24 146.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.61 -92.44 0.52 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.5 ttp -133.44 -68.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.631 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -146.72 132.92 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.8 mm-40 -73.32 -56.42 3.2 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.729 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.6 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.631 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 40.1 t -52.07 -56.73 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 8.3 pt20 -52.47 -37.36 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 18' ' ' VAL . 46.3 mt-10 -65.01 -48.11 75.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' OE1' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -60.63 -52.24 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.3 mt -55.19 -42.68 73.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.1 t -68.35 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 14' ' ' GLU . 73.1 t -39.66 -50.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.692 HD22 ' HE2' ' A' ' 23' ' ' PHE . 18.5 mt -63.39 -44.68 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -52.07 -29.17 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.17 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mt -65.54 -53.76 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.692 ' HE2' HD22 ' A' ' 19' ' ' LEU . 49.5 m-85 -76.19 -3.6 37.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' ALA . 38.9 t -37.46 -32.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' PHE . 22.1 mmt85 -37.68 147.57 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.85 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 129.08 16.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.5 m80 69.36 38.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -132.3 -41.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.722 ' CE3' HG21 ' A' ' 44' ' ' ILE . 60.8 t-105 -97.86 130.71 44.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.94 136.86 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.3 t -123.89 99.09 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 HG12 ' A' ' 41' ' ' VAL . 55.8 mt -41.71 -69.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -139.23 150.39 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HA ' HG23 ' A' ' 40' ' ' THR . 32.3 ptt85 -142.01 118.12 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -117.91 163.82 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.601 ' O ' HG22 ' A' ' 37' ' ' THR . 23.6 tt0 -65.53 83.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.855 ' O ' HG12 ' A' ' 66' ' ' VAL . 15.3 t 46.23 38.47 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 6.0 t0 -112.95 -30.61 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.84 74.84 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.546 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 34' ' ' ARG . 94.6 m -89.12 132.09 34.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.166 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 32' ' ' LEU . 99.2 t -131.43 129.31 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -142.46 143.41 32.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.712 ' HB2' HG22 ' A' ' 61' ' ' VAL . 27.5 ptt180 -131.95 114.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.722 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -102.46 143.63 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -84.84 111.22 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 44' ' ' ILE . 5.8 t -127.19 165.03 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -133.7 149.88 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -105.86 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.84 -15.03 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.605 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 67.06 -125.19 24.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 14.7 m-85 -157.65 128.7 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' PHE . 24.4 ptm 47.45 51.18 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 62.52 47.84 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 51' ' ' PHE . . . -135.01 85.86 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 126.98 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 57' ' ' PRO . 68.8 mt -112.21 138.68 21.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 56' ' ' ILE . 54.1 Cg_endo -69.72 145.52 57.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 tp -151.46 136.67 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -120.18 100.79 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.819 HD13 HG22 ' A' ' 111' ' ' VAL . 5.5 mt -91.97 115.87 28.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.712 HG22 ' HB2' ' A' ' 43' ' ' ARG . 19.0 t -108.05 102.98 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.795 ' CD2' HG13 ' A' ' 107' ' ' VAL . 87.2 m-85 -98.48 128.06 44.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -107.68 119.81 40.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.604 HD13 HG13 ' A' ' 12' ' ' VAL . 41.9 mt -100.35 99.66 10.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.27 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.855 HG12 ' O ' ' A' ' 37' ' ' THR . 34.9 m -94.81 -28.75 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.19 -40.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.655 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.01 150.02 0.27 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.674 0.75 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.77 -7.82 10.2 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -38.73 -46.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -103.81 172.71 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.97 135.46 37.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.92 41.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.11 100.4 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.37 133.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 t -136.15 128.93 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 94' ' ' LEU . 43.4 mm -112.25 130.58 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -155.15 119.8 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 t -126.12 153.11 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -69.57 -23.5 63.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -96.71 -62.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.9 mt -50.33 146.31 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.7 p -95.25 -178.89 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -55.52 -36.65 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.32 60.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.467 ' HG3' ' CD2' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -65.24 -26.16 67.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 76.9 m -87.59 -57.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.9 -34.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 97.8 m -72.84 -69.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.621 HG13 HD13 ' A' ' 114' ' ' ILE . 85.7 t -37.12 -39.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.591 ' HA ' HD12 ' A' ' 94' ' ' LEU . 20.8 tttt -69.92 -65.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.37 -43.08 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 91' ' ' LYS . 11.0 mt -54.33 -44.51 72.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.62 -45.87 48.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -56.5 -53.01 62.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.545 ' OE1' ' CD2' ' A' ' 113' ' ' TRP . 23.1 mt-30 -57.45 -48.6 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -43.13 -61.42 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -55.09 -33.32 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -96.55 39.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' GLU . 11.8 mt -74.58 178.95 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' LEU . 7.5 t 37.76 29.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' LEU . 6.0 mm-40 -154.92 160.62 30.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.424 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -93.45 -32.61 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.795 HG13 ' CD2' ' A' ' 62' ' ' PHE . 61.2 t -38.47 -51.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.8 t-80 -71.51 -64.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' HIS . 14.2 mm-40 -36.09 -55.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 113' ' ' TRP . 14.9 mt -48.21 -62.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.819 HG22 HD13 ' A' ' 60' ' ' LEU . 71.7 t -35.84 -47.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.469 HD23 ' OE1' ' A' ' 115' ' ' GLN . 79.8 mt -72.52 -40.98 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.545 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 67.7 t90 -57.38 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 90' ' ' VAL . 6.5 tp -69.37 -47.82 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.519 ' N ' HG23 ' A' ' 114' ' ' ILE . 44.4 mt-30 -39.82 -35.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -99.64 -44.26 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.84 37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.476 HD13 ' CB ' ' A' ' 48' ' ' ALA . 2.4 tt -85.38 -40.59 16.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -79.18 -41.45 28.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.18 -35.17 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -73.25 -51.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 86' ' ' GLN . 8.0 mt -59.2 -55.58 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' LEU . 52.2 m -34.52 -47.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -48.94 133.13 14.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 84.93 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -113.63 118.72 35.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 77.3 p -132.04 102.01 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -68.84 92.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 t -111.4 128.17 55.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.97 -139.03 4.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -139.96 161.99 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p 43.48 43.1 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.76 169.75 52.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.8 ttp -68.19 -64.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -161.19 159.15 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.605 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 9.8 mt-10 -87.91 -68.85 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.738 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.6 Cg_endo -69.72 -49.11 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 95.5 t -49.65 -49.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -63.15 -51.65 65.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -52.97 -61.0 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 19' ' ' LEU . 11.6 tp10 -39.91 -48.2 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 40' ' ' THR . 44.7 mt -62.2 -49.51 75.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -59.14 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -39.03 -51.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 15' ' ' GLU . 10.7 mt -65.74 -55.19 18.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.93 -22.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -80.31 -48.28 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -55.54 -53.96 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 80.5 m-85 -72.81 -50.34 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 21.4 p 35.47 40.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -141.37 131.31 12.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.71 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -2.8 10.75 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -108.74 -36.38 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -82.77 -50.99 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CE3' HG21 ' A' ' 44' ' ' ILE . 44.1 t-105 -98.05 110.7 23.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -134.16 131.84 39.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 41' ' ' VAL . 2.8 p -113.68 126.52 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.32 -59.34 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -158.96 133.66 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.647 ' CB ' HG23 ' A' ' 40' ' ' THR . 0.7 OUTLIER -140.25 132.64 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.442 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -119.32 161.58 20.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.3 -41.23 72.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' GLY . 3.9 t -127.97 -44.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 2.7 t70 -36.65 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 37' ' ' THR . . . 121.45 152.93 8.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.647 HG23 ' CB ' ' A' ' 34' ' ' ARG . 34.4 m -108.91 120.86 43.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 68.0 t -124.59 128.48 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 62' ' ' PHE . 11.4 p90 -146.54 143.32 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HG3' HG22 ' A' ' 61' ' ' VAL . 27.2 ttm180 -120.18 100.94 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.7 pp -100.95 147.31 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -97.3 137.07 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.506 HG21 HD12 ' A' ' 60' ' ' LEU . 14.5 t -139.07 158.5 44.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -132.62 145.42 51.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.94 -175.83 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.74 -13.29 61.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' HA2' ' CD1' ' A' ' 56' ' ' ILE . . . 60.27 128.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -44.07 -42.9 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.2 tpp -101.39 48.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.98 46.82 2.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.38 112.99 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -38.85 115.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.484 ' CD1' ' HA2' ' A' ' 50' ' ' GLY . 59.2 mt -93.98 132.7 28.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 79' ' ' SER . 53.6 Cg_endo -69.81 101.4 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 46' ' ' THR . 22.2 mt -109.02 142.91 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 111' ' ' VAL . 7.8 mt -98.22 109.64 22.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.424 HG22 ' HG3' ' A' ' 43' ' ' ARG . 84.2 t -112.48 101.11 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 107' ' ' VAL . 60.0 m-85 -94.6 125.14 39.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -108.7 113.86 27.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.9 mt -89.16 111.52 45.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.402 ' HG2' ' CB ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.72 -164.32 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.67 -36.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' TYR . 11.8 t-20 -73.26 -35.48 66.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.66 149.94 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.75 2.78 4.67 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.356 -0.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.507 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 58.0 m -75.73 46.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 t -174.76 170.26 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -96.67 124.51 50.24 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 140.81 43.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.04 96.54 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.754 HD12 HD23 ' A' ' 95' ' ' LEU . 33.5 mt -88.58 140.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.447 ' O ' HD13 ' A' ' 77' ' ' ILE . 33.2 m -142.37 139.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.873 HD11 ' CD1' ' A' ' 94' ' ' LEU . 25.7 mm -131.12 125.17 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.58 119.73 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 13.6 t -126.23 155.68 41.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.39 -41.15 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.465 ' NE2' HD13 ' A' ' 56' ' ' ILE . 3.2 pt20 -80.8 -35.92 32.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 79' ' ' SER . 22.9 mt -57.68 157.2 7.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -119.48 159.54 24.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -41.69 -32.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.29 -64.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -55.02 -54.23 45.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.8 p -43.39 -27.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 84' ' ' ARG . 74.6 t -85.42 -49.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.418 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 90.2 m -54.01 -39.87 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.502 ' CG1' HG21 ' A' ' 77' ' ' ILE . 60.5 t -66.22 -45.64 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.34 -58.92 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.48 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 25.3 pt-20 -42.98 -43.72 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 57.3 mmtt -60.74 -59.53 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.873 ' CD1' HD11 ' A' ' 77' ' ' ILE . 18.4 mt -39.01 -55.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.754 HD23 HD12 ' A' ' 75' ' ' ILE . 20.8 mt -50.89 -56.71 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.63 -48.74 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.54 -43.97 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -42.32 -51.98 4.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -40.13 -57.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.8 t -57.4 -30.62 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.4 mt -97.04 34.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 104' ' ' GLU . 12.2 mt -69.84 177.05 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' LEU . 58.1 m 36.65 33.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' LEU . 3.4 mp0 -153.25 161.31 29.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 93.19 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.8 ptp -93.57 -42.06 9.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 111' ' ' VAL . 69.4 t -33.79 -39.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.417 ' NE2' HD11 ' A' ' 112' ' ' LEU . 13.0 t-160 -82.53 -70.89 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' HIS . 16.8 mt-10 -37.11 -53.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.434 HD13 ' HE1' ' A' ' 62' ' ' PHE . 72.0 mt -44.48 -53.65 6.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 60' ' ' LEU . 56.0 t -52.41 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.417 HD11 ' NE2' ' A' ' 108' ' ' HIS . 38.2 mt -57.24 -23.64 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.551 ' CH2' HD11 ' A' ' 121' ' ' ILE . 76.5 t90 -77.61 -40.41 42.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 111' ' ' VAL . 7.2 tp -79.2 -20.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 47' ' ' LYS . 3.2 mm100 -78.09 -24.5 47.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -104.85 -45.38 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -89.46 33.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 119' ' ' ARG . 12.6 tp -68.75 -64.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -36.96 -72.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 123' ' ' SER . 36.8 t60 -35.07 -69.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.551 HD11 ' CH2' ' A' ' 113' ' ' TRP . 94.3 mt -39.6 -45.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 51' ' ' PHE . 4.2 mm? -66.5 -33.79 76.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 120' ' ' HIS . 46.7 m -54.53 -48.92 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 4.1 pt20 34.88 52.62 1.43 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 124' ' ' GLN . 53.4 Cg_endo -69.78 3.36 2.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -84.46 92.99 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.9 p -48.44 -51.43 26.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -61.7 130.07 44.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -54.42 121.12 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.63 -127.45 3.01 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -70.18 -51.35 31.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -81.62 117.94 22.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.47 -137.47 7.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.447 ' SD ' ' HB3' ' A' ' 9' ' ' ALA . 3.9 ppp? -132.77 -34.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' HB3' ' SD ' ' A' ' 8' ' ' MET . . . -164.45 -176.53 4.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.655 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 11.8 mm-40 -135.0 -71.56 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.684 0.754 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.655 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.78 -38.77 7.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.92 -43.68 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.34 -51.88 57.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.7 mt-10 -54.65 -40.87 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' OE1' HD12 ' A' ' 19' ' ' LEU . 1.8 tm-20 -60.13 -37.1 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.25 -53.87 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -49.71 -30.79 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 14' ' ' GLU . 48.9 t -78.37 -52.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 14.3 mt -57.9 -55.47 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.43 -19.0 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.61 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -46.24 -44.44 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -95.25 -59.93 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.2 t 51.99 26.47 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -109.74 137.97 20.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.698 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.74 3.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -127.8 -60.6 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -61.81 -11.0 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.79 ' CE3' HG21 ' A' ' 44' ' ' ILE . 11.1 t-105 -145.7 114.32 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.591 HG21 ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -113.48 110.7 33.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -44.76 -64.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 m -144.54 167.67 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.591 ' HG3' HG21 ' A' ' 31' ' ' VAL . 11.1 mtp-105 -141.37 125.88 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -117.39 153.61 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 37' ' ' THR . 21.4 mm-40 -77.34 97.24 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 36' ' ' GLU . 13.8 t 46.56 39.49 6.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.41 -32.69 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.18 97.19 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.7 m -92.14 124.35 36.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.146 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.96 123.32 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -142.75 137.66 29.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.514 ' HG3' HG22 ' A' ' 61' ' ' VAL . 49.3 ttp180 -116.97 114.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.79 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 pp -118.9 147.94 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.421 ' NE2' ' OE1' ' A' ' 59' ' ' GLU . 26.1 m80 -102.19 140.23 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 58' ' ' LEU . 8.1 t -136.91 157.74 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -116.32 150.37 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.81 174.31 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.83 -0.54 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.12 -146.49 36.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.477 ' CD2' ' HD2' ' A' ' 119' ' ' ARG . 9.2 m-85 -120.23 -41.36 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ASP . 8.4 ttm -125.64 78.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' MET . 4.1 m-20 36.86 47.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.35 112.08 7.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 130.82 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 57' ' ' PRO . 67.5 mt -107.75 137.19 19.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.667 0.746 . . . . 0.0 111.126 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 102.98 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 46' ' ' THR . 30.3 tp -106.06 140.61 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 60' ' ' LEU . 9.2 tp10 -122.94 131.38 53.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.72 HD22 ' CZ ' ' A' ' 62' ' ' PHE . 4.4 mt -130.93 117.44 19.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 43' ' ' ARG . 47.7 t -111.11 107.72 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 77.2 m-85 -105.49 150.26 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -132.79 123.55 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.447 HD21 HG21 ' A' ' 107' ' ' VAL . 9.7 mt -102.5 96.7 7.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.47 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 37' ' ' THR . 32.9 m -82.86 -38.06 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' TYR . 10.3 m120 -66.16 -44.47 84.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.553 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -37.36 145.96 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.754 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 3.05 4.51 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.344 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.479 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.6 44.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 t -175.45 155.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 99' ' ' GLU . 82.6 mt -84.35 121.86 75.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.568 0.699 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 145.88 58.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.01 109.71 2.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.9 mt -101.64 137.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -138.58 123.95 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.516 HG22 ' SG ' ' A' ' 87' ' ' CYS . 35.7 mm -112.51 130.2 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -155.51 120.27 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -124.62 157.06 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.76 -15.18 49.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -101.89 -56.79 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.6 mt -53.72 151.09 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.8 p -91.66 158.91 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -43.07 -55.83 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.69 -68.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -41.1 -58.28 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.516 ' SG ' HG22 ' A' ' 77' ' ' ILE . 1.9 t -42.4 -61.32 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.9 t -41.3 -53.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.9 m -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.87 -54.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' GLU . 42.1 tttt -55.46 -62.21 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' LYS . 48.3 mt-10 -35.84 -51.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -57.57 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 91' ' ' LYS . 26.1 mt -40.39 -60.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 4.4 mm? -43.26 -64.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -35.71 -56.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.58 -39.25 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -50.12 -57.04 8.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 102' ' ' LEU . 2.8 mm-40 -41.7 -60.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.0 m -63.08 -21.29 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.5 mt -93.01 27.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 99' ' ' GLU . 2.7 mt -67.28 178.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 43.79 26.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.492 ' CG ' ' HD2' ' A' ' 105' ' ' PRO . 7.1 tt0 -155.09 141.48 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 104' ' ' GLU . 54.1 Cg_endo -69.72 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.7 ptp -71.03 -31.1 67.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.66 HG13 ' CD2' ' A' ' 62' ' ' PHE . 72.0 t -35.44 -49.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -72.85 -52.04 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -49.74 -65.98 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' TRP . 23.3 mt -34.44 -62.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.6 HG22 HD13 ' A' ' 60' ' ' LEU . 98.8 t -36.7 -45.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.56 -35.32 58.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.524 ' CH2' HD11 ' A' ' 121' ' ' ILE . 55.8 t90 -61.55 -57.79 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 115' ' ' GLN . 5.6 tp -60.7 -49.35 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.508 ' N ' HG23 ' A' ' 114' ' ' ILE . 10.8 mt-30 -34.35 -36.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ILE . 8.9 mm100 -101.97 -43.75 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.533 ' O ' HD12 ' A' ' 121' ' ' ILE . 27.5 m-80 -83.74 39.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.6 tt -91.5 -38.71 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.477 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.6 ttt-85 -84.51 -46.1 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -48.58 -44.82 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 117' ' ' ASN . 74.9 mt -65.83 -39.8 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.84 37.66 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 t -104.53 40.02 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -112.04 156.74 41.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 163.04 39.74 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -83.49 97.44 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.7 m -71.63 122.17 20.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.76 0.314 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -70.92 -57.74 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.1 pt-20 -54.96 -42.03 71.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.448 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 35.3 tp10 -62.0 -30.5 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.52 -51.56 9.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -63.65 -54.08 41.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 14' ' ' GLU . 9.5 p -45.9 -28.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -75.78 -37.29 59.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -12.62 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.46 9.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.642 ' CE3' HG21 ' A' ' 44' ' ' ILE . 66.4 t-105 -109.01 110.39 21.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -138.18 129.57 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -114.85 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -48.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -147.39 129.1 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.584 ' CB ' HG23 ' A' ' 40' ' ' THR . 1.5 ppt_? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 34' ' ' ARG . 15.0 m -144.79 115.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.149 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -119.15 128.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' HZ ' HG11 ' A' ' 107' ' ' VAL . 25.5 p90 -145.96 144.9 30.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.508 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.5 tmt_? -121.72 113.6 19.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.642 HG21 ' CE3' ' A' ' 29' ' ' TRP . 1.4 pp -115.64 137.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -91.13 134.74 34.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.503 HG21 HD12 ' A' ' 60' ' ' LEU . 9.0 t -130.67 158.07 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -135.42 133.57 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HB2' HE21 ' A' ' 115' ' ' GLN . . . -98.29 -175.64 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -84.41 22.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 40.43 -155.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -105.97 -25.64 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.905 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.12 72.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 44.38 27.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.5 157.59 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.57 121.43 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.85 129.25 26.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.04 4.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.1 mt -117.26 144.7 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.76 107.13 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.582 HD22 ' CZ ' ' A' ' 62' ' ' PHE . 4.0 mt -113.58 107.36 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.508 HG22 ' CG ' ' A' ' 43' ' ' ARG . 55.8 t -106.78 101.85 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.934 ' CD2' HG13 ' A' ' 107' ' ' VAL . 60.7 m-85 -95.89 132.59 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -120.75 130.42 54.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 3.0 mt -106.0 96.55 13.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.3 Cg_endo -69.8 -176.17 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 m -80.01 -24.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 70' ' ' SER . 3.9 m120 -81.23 -36.43 30.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.559 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -44.5 146.94 1.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.929 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.3 Cg_endo -69.8 -14.33 12.55 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.304 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 4.7 t -35.1 -44.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.9 t -105.39 155.66 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.54 141.11 68.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.34 62.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.49 100.85 2.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.484 HG12 ' CE1' ' A' ' 62' ' ' PHE . 30.1 mt -97.1 141.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.2 t -137.66 109.25 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mm -94.22 131.91 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -154.87 119.96 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 t -126.05 134.0 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.31 -20.55 65.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -90.49 -60.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.08 164.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.5 p -88.23 -177.72 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -70.19 -29.75 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.69 -48.66 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -52.83 -53.77 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 15.7 p -52.04 -42.21 62.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.76 -37.73 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -65.67 -45.62 82.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -54.69 -48.34 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HG2' HD23 ' A' ' 95' ' ' LEU . 9.1 tttm -59.46 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' LYS . 11.0 mm-40 -35.3 -46.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 121' ' ' ILE . 46.3 mmtm -64.41 -57.58 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mp -45.25 -52.9 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.458 HD23 ' HG2' ' A' ' 91' ' ' LYS . 3.3 mm? -55.88 -54.61 42.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.96 -44.53 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -66.6 -46.45 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.28 -46.05 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -43.3 -57.76 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -62.66 -24.15 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.6 27.27 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.51 167.82 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.47 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 21.9 t 45.79 26.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -151.99 157.04 34.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.718 0.771 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.448 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.76 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.705 ' O ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -98.46 1.77 47.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.934 HG13 ' CD2' ' A' ' 62' ' ' PHE . 45.9 t -77.01 -30.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.42 ' O ' HD12 ' A' ' 112' ' ' LEU . 21.7 t-160 -86.93 -44.1 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -66.11 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 106' ' ' MET . 48.7 mt -34.6 -38.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 107' ' ' VAL . 38.9 t -65.38 -67.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.8 mp -56.38 -13.08 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.427 ' CH2' HD11 ' A' ' 121' ' ' ILE . 78.3 t90 -81.99 -53.99 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.444 ' CD1' HD12 ' A' ' 121' ' ' ILE . 6.2 tp -69.03 -31.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 48' ' ' ALA . 1.3 mp0 -59.9 -26.69 66.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -104.27 -47.56 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -84.7 35.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.82 -63.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -58.89 -24.39 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -71.45 -55.17 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.535 HG23 ' HG3' ' A' ' 93' ' ' LYS . 52.3 mt -59.22 -43.75 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 51' ' ' PHE . 41.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 64' ' ' LEU . 76.4 t . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.81 0.338 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -65.35 -51.94 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.777 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.3 mm-40 -50.7 -49.35 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -52.66 -42.98 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.718 HD11 HG21 ' A' ' 40' ' ' THR . 82.8 mt -69.32 -60.28 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 17.8 m -50.61 -57.78 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 14' ' ' GLU . 76.6 t -38.66 -56.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.69 -36.11 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -56.97 -13.58 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -48.51 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.879 0.371 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CE3' HG21 ' A' ' 44' ' ' ILE . 70.1 t-105 -151.01 118.81 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -143.71 114.41 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -94.17 110.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.868 HD12 HG12 ' A' ' 41' ' ' VAL . 38.0 mt -63.69 -58.43 6.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -153.45 158.66 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.718 HG21 HD11 ' A' ' 16' ' ' LEU . 22.5 m -98.78 136.0 39.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.178 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.868 HG12 HD12 ' A' ' 32' ' ' LEU . 57.4 t -130.52 115.34 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -140.45 145.94 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.554 ' HG3' HG22 ' A' ' 61' ' ' VAL . 17.4 ttm180 -130.86 109.88 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.77 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.1 pp -113.91 145.18 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -92.98 142.04 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 151.17 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -118.11 127.82 54.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.82 172.9 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 -9.79 11.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.66 176.58 6.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 119' ' ' ARG . 38.4 m-85 -90.02 -48.23 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptm -95.79 35.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.51 51.41 6.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.88 122.03 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -45.52 117.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.528 HG23 ' HD2' ' A' ' 57' ' ' PRO . 46.6 mm -99.11 135.66 20.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.76 106.58 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.827 HD11 HD11 ' A' ' 118' ' ' LEU . 15.2 mt -116.11 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -115.95 116.43 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.44 124.14 50.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.554 HG22 ' HG3' ' A' ' 43' ' ' ARG . 86.6 t -117.72 108.09 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.47 ' CD2' HG13 ' A' ' 107' ' ' VAL . 43.2 m-85 -101.84 128.44 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -122.26 133.58 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.555 HD12 ' HB ' ' A' ' 40' ' ' THR . 5.3 mt -106.65 103.06 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.82 -176.06 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.308 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.0 14.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 70' ' ' SER . 5.2 m120 -122.21 -30.63 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.644 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -49.92 150.03 4.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.72 0.771 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.5 Cg_endo -69.72 -16.02 12.26 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.392 -0.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.1 t -35.53 -46.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.1 t -99.64 167.67 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.12 142.76 41.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.673 0.749 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.66 63.39 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.5 73.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.9 mt -72.98 131.7 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 t -139.21 113.88 9.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.93 123.97 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -154.95 120.1 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 t -125.88 155.61 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -69.39 -23.98 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -94.01 -55.71 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -43.3 156.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.5 p -100.37 -177.94 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.569 ' O ' HG23 ' A' ' 88' ' ' VAL . 28.2 ttt85 -66.51 -32.05 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.52 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.18 -49.6 75.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -54.19 -34.16 59.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.5 t -72.31 -46.51 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.1 m -57.93 -60.86 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -37.78 -61.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -48.1 -60.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -39.18 -38.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -59.66 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.66 -38.92 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' ALA . 4.4 mm? -59.76 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.6 tm-20 -37.53 -49.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' NE2' ' CZ2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -70.14 -34.26 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -51.18 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ALA . 12.4 mt-10 -36.4 -63.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -53.45 -37.31 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ALA . 21.2 mt -86.77 30.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.05 162.4 29.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.6 m 54.38 41.8 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 8.3 pt-20 -168.63 152.01 5.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 81.23 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.5 ptp -82.2 -24.36 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 111' ' ' VAL . 87.0 t -37.08 -53.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -66.81 -54.4 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -48.71 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.7 mt -40.32 -51.79 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 107' ' ' VAL . 90.9 t -50.8 -49.76 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -72.14 -16.6 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.405 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 82.2 t90 -77.4 -66.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 121' ' ' ILE . 7.7 tp -52.64 -42.29 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 114' ' ' ILE . 24.8 mm-40 -51.69 -23.68 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.16 -44.47 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -95.63 35.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.827 HD11 HD11 ' A' ' 58' ' ' LEU . 2.5 tt -72.88 -42.46 63.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 15.4 ttp180 -80.33 -40.42 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -37.66 51.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 114' ' ' ILE . 66.3 mt -65.8 -45.74 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.76 0.314 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 10.0 pt20 -58.7 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 18' ' ' VAL . 33.9 mt-10 -63.02 -47.52 82.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -52.09 -51.31 58.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.3 -60.2 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -43.55 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 14' ' ' GLU . 90.2 t -39.62 -50.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.603 HD11 HG11 ' A' ' 107' ' ' VAL . 66.6 mt -56.56 -54.91 40.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.87 -35.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.09 91.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.662 HD13 ' CD2' ' A' ' 108' ' ' HIS . 19.2 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -94.03 117.93 30.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -139.63 131.3 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 34' ' ' ARG . 53.3 t -121.35 105.16 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD12 HG12 ' A' ' 41' ' ' VAL . 43.6 mt -42.66 -67.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -151.64 159.39 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HG2' HG23 ' A' ' 40' ' ' THR . 29.9 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.471 HG23 ' HG2' ' A' ' 34' ' ' ARG . 76.5 m -110.92 125.78 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.157 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 32' ' ' LEU . 58.1 t -124.91 127.83 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.411 ' HB3' HG13 ' A' ' 31' ' ' VAL . 54.2 p90 -149.67 162.32 40.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.81 ' HG3' HG22 ' A' ' 61' ' ' VAL . 24.0 ttp85 -145.71 133.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.9 pp -125.25 149.73 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -87.24 124.91 33.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 60' ' ' LEU . 12.2 t -126.2 152.31 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -136.01 136.11 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.95 172.1 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.84 -5.01 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.34 -150.29 47.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 1.3 m-30 -111.23 -37.99 5.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASP . 10.3 tpt -119.99 74.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' MET . 57.5 m-20 35.94 45.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.25 143.46 47.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 114.82 22.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.63 HG23 ' HD2' ' A' ' 57' ' ' PRO . 17.5 mm -88.66 138.17 29.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.77 90.55 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.342 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.09 144.15 28.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -124.5 117.8 25.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 46' ' ' THR . 7.5 mt -117.3 106.81 13.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.81 HG22 ' HG3' ' A' ' 43' ' ' ARG . 21.4 t -104.54 103.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -94.41 132.59 38.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -120.58 124.63 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD22 ' CE2' ' A' ' 68' ' ' TYR . 31.8 mt -106.13 96.54 13.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.7 Cg_endo -69.74 -173.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.01 -27.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -76.75 -42.77 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.643 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -38.55 150.03 0.21 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.674 0.75 . . . . 0.0 110.905 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.63 10.6 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.342 -0.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.3 m -38.78 -47.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t -101.32 147.54 26.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 ' HG ' ' HB1' ' A' ' 98' ' ' ALA . 7.2 mp -65.86 142.86 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 134.06 27.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.1 88.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.5 mt -86.17 140.47 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 t -134.42 130.85 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mm -122.11 107.82 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -141.85 119.99 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 t -126.02 133.29 51.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.65 -16.54 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -95.65 -68.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.7 mt -40.54 155.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.5 p -89.77 -178.98 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.66 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.77 -48.0 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' VAL . 22.5 mm-40 -59.02 -66.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -39.7 -26.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' GLN . 18.7 t -84.38 -50.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.5 m -55.8 -27.49 51.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 94' ' ' LEU . 33.5 t -74.53 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -61.2 -53.62 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 93' ' ' LYS . 8.7 pt-20 -42.61 -35.91 1.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -70.42 -58.36 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.0 mm? -43.39 -41.66 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.94 -41.0 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.53 -35.57 70.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -80.11 -31.36 39.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -51.48 -58.75 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -39.97 -66.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.3 t -51.24 -27.89 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.3 mt -93.93 33.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.21 156.93 27.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m 59.17 33.58 22.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.76 153.51 9.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.718 0.771 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.77 2.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.254 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 108' ' ' HIS . 0.8 OUTLIER -113.28 -31.42 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.603 HG11 HD11 ' A' ' 19' ' ' LEU . 79.0 t -34.36 -33.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.662 ' CD2' HD13 ' A' ' 22' ' ' ILE . 14.5 t-80 -83.86 -59.67 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.15 -50.79 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.6 -49.95 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.82 -53.45 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.627 HD11 ' NE2' ' A' ' 108' ' ' HIS . 23.1 mt -69.8 -15.47 63.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.425 ' CZ3' HD11 ' A' ' 121' ' ' ILE . 85.2 t90 -76.44 -63.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.48 HD11 HD22 ' A' ' 118' ' ' LEU . 4.2 tp -53.42 -40.97 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.426 ' CD ' HG23 ' A' ' 114' ' ' ILE . 0.5 OUTLIER -64.29 -12.26 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -104.2 -45.06 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -95.44 17.25 14.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.48 HD22 HD11 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -49.97 -65.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -61.22 -45.8 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -44.76 -50.53 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.425 HD11 ' CZ3' ' A' ' 113' ' ' TRP . 51.6 mt -57.0 -61.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 121' ' ' ILE . 10.3 mp . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.811 0.339 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -55.03 -44.94 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLU . 5.6 mm-40 -51.97 -64.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' GLU . 5.4 tp10 -37.61 -58.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.01 -58.11 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -52.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -44.46 -44.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.0 mt -62.89 -64.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.02 -41.47 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.71 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.4 mt . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.843 0.354 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CE3' HG21 ' A' ' 44' ' ' ILE . 48.9 t-105 -129.89 126.95 39.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.517 ' OE2' HD23 ' A' ' 32' ' ' LEU . 9.6 tm-20 -144.78 140.86 28.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LEU . 90.4 t -124.98 97.19 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD12 HG12 ' A' ' 41' ' ' VAL . 31.8 mt -35.76 -70.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -154.18 172.73 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 m -90.17 123.38 33.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.643 HG12 HD12 ' A' ' 32' ' ' LEU . 96.2 t -114.65 111.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 48.2 p90 -130.56 148.33 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.579 ' HG3' HG22 ' A' ' 61' ' ' VAL . 10.9 ttp180 -132.45 102.12 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.1 pp -103.09 151.07 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -92.73 136.14 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.7 HG21 HD12 ' A' ' 60' ' ' LEU . 14.3 t -141.48 148.98 40.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -117.33 132.21 56.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.5 161.94 13.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.08 -11.4 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.496 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 72.59 -154.11 49.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.74 -37.26 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' ASP . 24.5 ttp -124.56 74.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' MET . 9.0 t0 36.32 45.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.26 112.53 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.23 145.71 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 57' ' ' PRO . 82.5 mt -128.13 138.43 32.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.78 94.72 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.8 tp -103.65 143.33 32.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -118.63 117.19 28.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 46' ' ' THR . 8.1 mt -109.23 129.81 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.579 HG22 ' HG3' ' A' ' 43' ' ' ARG . 75.8 t -123.64 102.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 64.8 m-85 -103.3 129.77 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -117.78 123.3 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 107' ' ' VAL . 34.0 mt -103.23 96.54 8.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.8 -164.11 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.3 m -91.14 -10.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 71' ' ' CYS . 7.7 m120 -110.45 42.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.644 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -136.27 149.03 66.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.7 0.762 . . . . 0.0 110.905 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.77 1.14 5.46 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.3 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.479 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 23.1 t -32.93 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 67' ' ' ASN . 84.6 m -138.63 -177.93 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.13 122.81 88.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.27 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.73 113.18 4.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.7 mt -114.07 136.48 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -140.88 138.25 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.7 mm -127.8 119.88 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.77 120.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -125.85 140.86 52.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.67 -28.73 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -87.87 -56.64 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.634 HD21 HD11 ' A' ' 122' ' ' LEU . 61.0 mt -47.33 149.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.0 p -92.8 164.66 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.645 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.4 tpm_? -55.81 -34.98 65.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.88 -43.77 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' THR . 45.7 mt-30 -68.79 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.2 p -38.46 -35.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 84' ' ' ARG . 90.9 t -75.03 -42.0 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLN . 95.9 m -53.75 -53.18 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' O ' HD23 ' A' ' 94' ' ' LEU . 57.3 t -52.31 -56.55 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 92' ' ' GLU . 30.0 tttt -50.73 -62.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' LYS . 22.5 mm-40 -36.47 -42.82 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -64.29 -53.28 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.5 mm? -45.47 -49.46 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.08 -48.29 17.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -52.96 -52.44 58.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.96 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -40.05 -64.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' ALA . 14.4 mt-10 -36.36 -68.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t -46.99 -30.59 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 98' ' ' ALA . 16.9 mt -95.5 35.11 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.6 158.24 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 m 53.15 46.37 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.53 155.26 2.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 98.14 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.3 ptp -98.58 -35.28 10.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.756 ' O ' HG23 ' A' ' 111' ' ' VAL . 82.4 t -34.99 -46.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -73.24 -65.14 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -39.32 -57.26 1.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 114' ' ' ILE . 11.2 mt -46.23 -48.08 17.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 107' ' ' VAL . 97.9 t -51.55 -35.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 mt -82.99 -42.15 17.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.657 ' CH2' HD11 ' A' ' 121' ' ' ILE . 65.3 t90 -58.55 -40.39 82.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.524 HD11 HD22 ' A' ' 118' ' ' LEU . 8.0 tp -73.81 -42.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.441 ' N ' HG23 ' A' ' 114' ' ' ILE . 51.8 mt-30 -49.74 -29.82 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -102.85 -44.88 5.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -86.19 36.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.524 HD22 HD11 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -79.21 -58.02 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -65.8 -37.05 85.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -54.24 -43.73 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.657 HD11 ' CH2' ' A' ' 113' ' ' TRP . 88.1 mt -70.17 -45.06 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 82' ' ' LEU . 13.1 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.1 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.82 0.343 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -58.08 -58.83 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.545 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.2 mt-10 -47.32 -40.48 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.12 -47.81 82.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.9 -48.3 71.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -44.76 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 14' ' ' GLU . 90.2 t -71.47 -46.2 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.7 mt -49.32 -55.65 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -44.9 -39.16 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -55.61 -53.99 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.911 HD13 ' NE2' ' A' ' 108' ' ' HIS . 19.3 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.835 0.35 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.754 ' CE3' HG21 ' A' ' 44' ' ' ILE . 68.2 t-105 -141.23 122.36 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.657 ' H ' HG22 ' A' ' 44' ' ' ILE . 8.2 tt0 -143.18 130.65 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' LEU . 75.8 t -120.77 98.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.797 HD12 HG12 ' A' ' 41' ' ' VAL . 44.2 mt -38.03 -65.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -161.13 170.62 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HD3' HG23 ' A' ' 40' ' ' THR . 5.3 mmt85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.453 HG23 ' HD3' ' A' ' 34' ' ' ARG . 94.6 m -110.85 125.11 53.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.797 HG12 HD12 ' A' ' 32' ' ' LEU . 66.2 t -123.97 134.63 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 29.3 p90 -163.18 160.18 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HD2' ' CD ' ' A' ' 59' ' ' GLU . 52.3 ttp180 -146.99 107.22 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.754 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -104.42 148.51 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -85.84 121.8 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 1.083 HG21 HD12 ' A' ' 60' ' ' LEU . 13.2 t -128.21 155.62 44.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -124.1 142.95 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.501 ' CB ' HD22 ' A' ' 118' ' ' LEU . . . -105.38 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.01 -7.41 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.74 176.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.586 ' HZ ' HD13 ' A' ' 122' ' ' LEU . 8.7 m-85 -86.37 -49.98 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . 29.2 mmm -85.96 51.95 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.6 m-20 35.27 34.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' MET . . . -126.17 122.72 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -38.95 120.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.2 mm -106.42 131.01 22.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.19 144.64 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.431 ' CD ' ' HD2' ' A' ' 43' ' ' ARG . 42.8 tt0 -114.12 109.88 19.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.083 HD12 HG21 ' A' ' 46' ' ' THR . 4.3 mt -103.72 131.6 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.3 t -127.68 102.84 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.615 ' CE2' HD22 ' A' ' 60' ' ' LEU . 67.6 m-85 -101.83 156.03 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -146.06 117.51 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.623 HD22 ' CE2' ' A' ' 68' ' ' TYR . 11.0 mt -102.6 96.43 7.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.77 -172.89 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.258 . . . . 0.0 112.339 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.51 -37.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -66.55 -44.68 81.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.649 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -39.84 149.95 0.27 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.701 0.762 . . . . 0.0 110.936 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.8 -20.32 10.85 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.301 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' PRO . 20.1 p -34.0 -45.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 39.3 t -100.82 147.85 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.535 HD21 ' OE1' ' A' ' 99' ' ' GLU . 3.6 mm? -68.16 128.42 93.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.47 69.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.304 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.85 108.31 2.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -111.22 134.36 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 t -134.12 132.14 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.429 HD11 HD22 ' A' ' 94' ' ' LEU . 14.4 mm -122.16 115.04 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -153.74 119.98 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.524 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.0 t -125.91 124.56 41.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -39.88 -27.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' SER . 5.6 mm100 -89.57 -49.73 6.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 79' ' ' SER . 27.1 mt -44.64 167.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 64.0 p -104.13 155.18 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -52.18 -32.26 35.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.0 -46.08 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' CYS . 52.4 mt-30 -64.44 -58.38 6.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' GLN . 30.7 p -37.85 -39.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.13 -54.16 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -42.32 -44.84 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.3 -63.44 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.95 -54.14 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -46.07 -43.12 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HG3' HG21 ' A' ' 121' ' ' ILE . 61.3 mmtt -64.45 -54.98 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 77' ' ' ILE . 7.8 mp -44.23 -44.28 7.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.78 -54.11 50.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.59 -51.38 55.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ALA . 13.8 mm100 -60.66 -47.81 84.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -37.97 -52.9 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.535 ' OE1' HD21 ' A' ' 72' ' ' LEU . 7.2 mm-40 -43.05 -64.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 t -48.38 -32.1 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -98.62 36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.488 HD11 ' OE1' ' A' ' 99' ' ' GLU . 5.5 mt -68.95 178.37 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 16.8 t 34.38 41.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -165.31 160.46 14.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 90.14 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.579 ' O ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -91.84 -22.96 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 111' ' ' VAL . 88.3 t -48.23 -57.6 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.911 ' NE2' HD13 ' A' ' 22' ' ' ILE . 16.2 t-80 -67.15 -62.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 108' ' ' HIS . 60.7 mm-40 -36.88 -53.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 106' ' ' MET . 9.0 mt -53.63 -51.81 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 107' ' ' VAL . 73.8 t -45.11 -46.02 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.466 HD13 ' OE1' ' A' ' 115' ' ' GLN . 3.3 mm? -76.99 -36.73 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CH2' HD11 ' A' ' 121' ' ' ILE . 44.5 t90 -57.67 -53.75 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 115' ' ' GLN . 9.8 tp -64.98 -48.25 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.582 ' N ' HG23 ' A' ' 114' ' ' ILE . 43.5 mt-30 -37.25 -43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -93.85 -50.17 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -83.21 39.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 122' ' ' LEU . 18.5 tp -85.77 -38.25 18.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -85.08 -40.2 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -53.77 -42.31 68.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.46 HD11 ' CH2' ' A' ' 113' ' ' TRP . 74.7 mt -67.66 -63.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.586 HD13 ' HZ ' ' A' ' 51' ' ' PHE . 6.0 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' CG2' ' CD1' ' A' ' 68' ' ' TYR . 39.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.85 0.357 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.73 -45.63 91.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.95 -51.08 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.11 -43.43 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 40' ' ' THR . 95.3 mt -65.84 -49.49 67.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.5 m -60.62 -61.84 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.2 t -44.79 -59.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.5 mt -49.39 -34.98 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -52.48 -35.34 52.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.44 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CE3' HG21 ' A' ' 44' ' ' ILE . 37.0 t-105 -104.67 115.81 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 44' ' ' ILE . 2.9 tp10 -140.5 129.92 23.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 76.3 t -119.11 109.02 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 HG12 ' A' ' 41' ' ' VAL . 40.7 mt -51.96 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -151.74 145.33 24.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 16' ' ' LEU . 98.5 m -104.29 122.59 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.508 HG12 HD12 ' A' ' 32' ' ' LEU . 97.3 t -127.01 122.75 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.416 ' HZ ' HG11 ' A' ' 107' ' ' VAL . 53.2 p90 -138.34 159.58 41.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -145.24 123.75 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.574 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.8 pp -124.75 148.92 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -92.3 134.74 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.9 t -136.23 151.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -117.59 119.98 36.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.42 159.88 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.1 tp10 -58.42 94.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.7 153.32 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -52.46 -31.59 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.8 ptm -120.0 37.55 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.12 54.19 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -145.81 108.01 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -34.5 128.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 57' ' ' PRO . 48.8 mm -118.51 138.45 25.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.74 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.577 HD23 ' OE1' ' A' ' 115' ' ' GLN . 67.0 tp -99.58 130.15 45.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -118.1 114.29 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD2' HD11 ' A' ' 77' ' ' ILE . 9.8 mt -111.28 121.5 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -112.47 101.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.741 ' CG ' HG13 ' A' ' 107' ' ' VAL . 98.0 m-85 -93.49 138.23 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -120.23 122.94 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 mt -103.72 99.67 16.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -166.48 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.677 2.252 . . . . 0.0 112.37 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.01 -22.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 68' ' ' TYR . 75.0 m-20 -75.83 -45.42 35.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -35.79 144.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.79 3.51 4.42 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.326 -0.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.485 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.27 43.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 t -175.81 158.9 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 99' ' ' GLU . 31.0 mt -87.74 129.82 49.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.487 ' CD ' ' SD ' ' A' ' 106' ' ' MET . 54.0 Cg_endo -69.75 131.39 21.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.32 111.01 3.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.689 HG21 HD13 ' A' ' 94' ' ' LEU . 40.8 mt -106.71 125.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -126.88 107.04 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.658 ' CD1' HG22 ' A' ' 75' ' ' ILE . 1.5 mp -96.24 113.03 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -134.87 119.94 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -126.19 144.51 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -86.49 -56.07 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.1 mt -57.14 154.59 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.4 p -103.96 169.21 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.87 ' O ' HG23 ' A' ' 88' ' ' VAL . 40.9 ttp180 -52.28 -48.8 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -69.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -42.59 -59.08 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.0 m -44.79 -60.23 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 84' ' ' ARG . 80.5 t -38.3 -48.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -51.86 -50.36 61.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.15 -63.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -42.39 -56.8 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.54 -53.46 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -50.87 -46.09 60.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.689 HD13 HG21 ' A' ' 75' ' ' ILE . 19.8 mt -61.17 -60.5 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 75' ' ' ILE . 4.3 mm? -46.67 -43.92 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.72 -44.43 77.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.33 -42.52 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -38.15 -59.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HG2' HD21 ' A' ' 72' ' ' LEU . 11.7 mt-10 -38.74 -58.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.0 p -55.71 -32.49 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.7 mt -95.64 35.4 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' GLU . 10.0 mt -70.47 178.44 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p 37.6 32.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' LEU . 15.6 mt-10 -157.24 161.43 29.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.657 0.742 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 87.2 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.487 ' SD ' ' CD ' ' A' ' 73' ' ' PRO . 16.6 ptp -81.79 -47.27 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.803 ' O ' HG23 ' A' ' 111' ' ' VAL . 53.6 t -33.77 -52.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' GLU . 12.3 t-80 -64.61 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.8 mm-40 -37.46 -62.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 114' ' ' ILE . 56.5 mt -35.55 -47.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 107' ' ' VAL . 57.7 t -54.24 -58.38 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 112' ' ' LEU . 6.5 mp -62.11 -25.54 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -69.59 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.574 HG23 ' N ' ' A' ' 115' ' ' GLN . 5.1 tp -61.12 -51.77 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.577 ' OE1' HD23 ' A' ' 58' ' ' LEU . 5.9 mm100 -34.83 -38.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -96.68 -45.97 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -90.32 44.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.1 tp -89.41 -38.09 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -67.63 -39.64 84.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -60.46 -32.13 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.559 HG22 HD22 ' A' ' 122' ' ' LEU . 46.3 mm -50.09 -50.91 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.559 HD22 HG22 ' A' ' 121' ' ' ILE . 3.6 mm? . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.823 0.344 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -75.45 -53.21 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.6 pt-20 -47.02 -45.85 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 7.4 tp10 -57.14 -67.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -44.36 -39.47 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -62.84 -48.91 77.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.748 HG12 ' CD1' ' A' ' 22' ' ' ILE . 80.0 t -65.73 -50.13 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 mt -44.88 -52.47 8.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.02 -28.6 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.82 -52.46 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.748 ' CD1' HG12 ' A' ' 18' ' ' VAL . 1.7 mp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.846 0.355 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.784 ' HA ' HG22 ' A' ' 44' ' ' ILE . 68.0 t-105 -134.55 111.52 10.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -133.78 101.21 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 53.9 t -78.89 93.7 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.6 mt -44.1 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.1 p -139.23 162.6 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 51.1 mtm180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.3 m -91.15 123.22 34.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.161 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.1 122.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 61' ' ' VAL . 15.0 p90 -145.13 157.4 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.559 ' CB ' HG22 ' A' ' 61' ' ' VAL . 4.9 tmm_? -142.41 131.71 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.784 HG22 ' HA ' ' A' ' 29' ' ' TRP . 2.7 pp -127.85 151.1 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.08 128.52 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.831 HG21 HD12 ' A' ' 60' ' ' LEU . 13.8 t -140.92 148.77 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 143.0 49.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.74 176.15 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.76 -8.69 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 53.39 173.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -85.07 -47.49 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.23 41.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 45.32 42.38 7.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.97 163.72 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.06 17.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 57' ' ' PRO . 89.6 mt -90.09 138.71 27.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 56' ' ' ILE . 54.0 Cg_endo -69.76 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.5 tp -106.59 142.96 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -117.77 116.54 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 46' ' ' THR . 4.0 mt -114.96 113.22 23.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.559 HG22 ' CB ' ' A' ' 43' ' ' ARG . 67.7 t -112.49 103.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.608 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 92.8 m-85 -98.38 125.62 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -106.61 114.96 29.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD21 HG21 ' A' ' 107' ' ' VAL . 16.7 mt -101.6 97.94 8.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.6 Cg_endo -69.81 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.5 m -90.03 -9.78 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 11.0 m-20 -93.43 -32.09 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -51.71 149.86 7.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.711 0.767 . . . . 0.0 110.913 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.82 -16.36 12.33 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 0.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.4 t -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.69 153.42 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 99' ' ' GLU . 57.2 mt -74.13 134.8 77.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 171.75 13.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.49 88.35 1.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mt -83.54 135.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 77' ' ' ILE . 5.0 t -138.36 142.13 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 76' ' ' SER . 39.1 mm -128.47 129.8 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -157.04 119.85 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.9 t -126.16 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.94 -31.72 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -85.12 -58.08 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.3 mt -49.73 147.22 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.7 p -93.06 178.13 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 88' ' ' VAL . 10.2 ttt85 -61.48 -28.79 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.75 -44.74 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.604 ' OE1' HD11 ' A' ' 122' ' ' LEU . 70.0 mm-40 -66.88 -57.72 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.2 p -43.71 -33.47 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 84' ' ' ARG . 68.9 t -75.56 -48.28 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -49.66 -51.49 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.412 ' O ' HD23 ' A' ' 94' ' ' LEU . 52.1 t -54.61 -54.95 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -50.73 -58.5 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -40.18 -47.01 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.5 ' HG3' HG23 ' A' ' 121' ' ' ILE . 58.5 mmtt -60.04 -55.65 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.6 mm? -47.14 -41.86 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.48 -51.04 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.62 -52.7 37.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -56.43 -49.83 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -41.07 -62.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.482 ' HA ' HD21 ' A' ' 72' ' ' LEU . 32.7 mt-10 -36.12 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 m -54.09 -29.29 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 98' ' ' ALA . 13.3 mt -92.61 36.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.0 156.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 t 57.71 42.92 22.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -170.42 152.86 4.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 89.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 107' ' ' VAL . 4.4 ptp -88.16 -38.97 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.781 ' O ' HG23 ' A' ' 111' ' ' VAL . 85.6 t -31.02 -61.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.438 ' CD2' HG12 ' A' ' 22' ' ' ILE . 15.6 t-80 -59.4 -43.65 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' MET . 16.9 mm-40 -63.23 -67.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 114' ' ' ILE . 25.3 mt -33.93 -46.48 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 107' ' ' VAL . 96.9 t -52.84 -52.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.33 -36.79 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -54.33 -56.39 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 110' ' ' LEU . 6.9 tp -68.92 -37.75 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 111' ' ' VAL . 34.8 mt-30 -46.35 -38.43 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -104.81 -50.67 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -77.42 46.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.0 tt -87.55 -48.66 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -29.26 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.48 -36.23 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.5 HG23 ' HG3' ' A' ' 93' ' ' LYS . 29.6 mm -49.7 -55.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.604 HD11 ' OE1' ' A' ' 86' ' ' GLN . 4.1 mm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.332 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -82.83 -44.26 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.22 -55.28 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' O ' HD12 ' A' ' 19' ' ' LEU . 6.5 tm-20 -42.09 -47.87 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HA ' HD12 ' A' ' 19' ' ' LEU . 50.3 mt -61.87 -47.18 86.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -60.4 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -41.98 -46.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' A' ' 22' ' ' ILE . 10.1 mt -51.25 -41.43 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.01 61.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.51 -36.53 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.853 HD13 ' CD2' ' A' ' 108' ' ' HIS . 98.7 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.475 ' HA ' HG22 ' A' ' 44' ' ' ILE . 47.6 t-105 -107.53 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -144.28 122.2 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 32' ' ' LEU . 89.2 t -103.71 105.56 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' VAL . 44.3 mt -35.89 -66.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -148.71 164.11 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.409 ' HD2' ' CG1' ' A' ' 31' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -110.66 129.97 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 32' ' ' LEU . 63.1 t -125.41 125.62 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 53.9 p90 -136.99 153.59 50.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.743 ' HG3' HG22 ' A' ' 61' ' ' VAL . 17.7 ttm180 -141.46 116.37 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.6 pp -117.51 148.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -86.0 124.98 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.868 HG21 HD12 ' A' ' 60' ' ' LEU . 7.0 t -129.7 159.74 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -130.94 132.42 45.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HB1' HD22 ' A' ' 118' ' ' LEU . . . -82.78 -176.97 6.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' GLY . 67.0 mt-10 -84.07 40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 36.13 -149.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -109.03 -54.73 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptm -123.89 65.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 70.48 43.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.44 173.8 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.88 140.25 49.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 57' ' ' PRO . 77.2 mt -132.66 138.42 31.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.76 122.28 8.96 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -132.53 129.68 39.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.13 107.94 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.868 HD12 HG21 ' A' ' 46' ' ' THR . 8.4 mt -102.98 112.94 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 ' HG3' ' A' ' 43' ' ' ARG . 19.3 t -107.03 108.19 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 107' ' ' VAL . 70.8 m-85 -102.36 139.41 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 1.7 t-160 -125.48 135.05 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 68' ' ' TYR . 13.0 mt -116.38 96.45 47.85 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.6 Cg_endo -69.72 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.8 -21.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' CYS . 74.3 m-20 -106.17 48.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -135.0 149.75 71.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.646 0.736 . . . . 0.0 110.945 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 0.68 5.67 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -32.68 -36.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 67' ' ' ASN . 12.1 m -131.25 174.83 9.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.2 129.61 91.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -166.97 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -108.62 85.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.687 HD13 ' HB3' ' A' ' 94' ' ' LEU . 64.3 mt -81.13 135.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 t -139.21 143.89 38.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.512 HD11 ' CD1' ' A' ' 94' ' ' LEU . 9.0 mm -135.18 120.16 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -154.83 120.04 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -126.08 153.36 44.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.7 0.08 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.66 -36.66 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 163.37 27.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.5 p -98.54 -179.28 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -66.58 -57.43 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.0 -59.34 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.4 OUTLIER -49.28 -54.88 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -42.02 -50.04 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.19 -53.73 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.0 m -48.52 -48.18 38.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.0 -46.48 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -62.35 -56.03 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -43.61 -47.35 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -57.73 -58.71 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.687 ' HB3' HD13 ' A' ' 75' ' ' ILE . 8.6 mt -45.09 -41.18 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 95' ' ' LEU . 3.1 mm? -59.37 -41.65 89.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -60.99 -54.02 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -62.05 -34.79 76.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -49.81 -59.23 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -38.47 -68.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.6 t -47.03 -30.41 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ALA . 14.9 mt -93.77 29.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.53 170.62 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m 41.8 26.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -148.61 160.48 36.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 88.05 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 107' ' ' VAL . 14.1 ptp -85.29 -43.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 111' ' ' VAL . 58.4 t -34.07 -43.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.853 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.8 t-160 -79.03 -69.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -37.99 -57.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.502 ' O ' HG22 ' A' ' 114' ' ' ILE . 41.0 mt -41.19 -63.59 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 107' ' ' VAL . 47.6 t -40.06 -51.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.15 -31.07 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' LEU . 76.0 t90 -68.0 -60.64 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.768 HD13 HD12 ' A' ' 121' ' ' ILE . 1.5 tp -60.48 -28.77 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -68.2 -32.23 72.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -103.01 -15.02 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.445 ' ND2' ' CD1' ' A' ' 113' ' ' TRP . 66.6 m-80 -112.27 24.2 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.638 HD12 HD11 ' A' ' 114' ' ' ILE . 6.2 tp -64.76 -71.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -27.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -69.83 -41.6 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.768 HD12 HD13 ' A' ' 114' ' ' ILE . 90.7 mt -74.98 -42.53 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.9 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.878 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.576 HG22 ' CD1' ' A' ' 68' ' ' TYR . 84.7 t . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.801 0.334 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.61 -54.15 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.6 mt-10 -45.75 -50.14 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -52.81 -54.68 30.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.63 -47.67 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -57.02 -55.66 31.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 14' ' ' GLU . 85.8 t -53.86 -54.25 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD21 ' HA ' ' A' ' 108' ' ' HIS . 31.5 mt -54.46 -49.78 69.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.19 -23.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -69.06 -61.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' H ' HD12 ' A' ' 22' ' ' ILE . 5.0 mp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.816 0.341 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.45 ' CZ2' ' CG2' ' A' ' 31' ' ' VAL . 44.5 t-105 -102.17 121.01 41.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -144.45 123.14 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 73.3 t -118.42 104.24 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.35 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m -152.01 136.08 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -99.92 126.38 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.48 144.55 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 18.5 p90 -163.76 151.47 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.06 105.08 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.853 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.9 pp -101.25 152.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -98.2 132.13 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 t -137.28 151.95 49.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -128.05 132.98 49.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.96 -175.07 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLY . 20.0 mt-10 -83.91 35.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 34.43 -134.8 0.36 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -127.66 -37.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.5 ptm -115.49 40.44 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 69.82 37.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -128.65 104.56 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.82 132.0 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 57' ' ' PRO . 41.9 mm -117.78 138.65 25.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 129.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -136.94 156.39 48.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.722 ' OE2' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -136.43 116.99 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.463 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 7.3 mt -118.96 119.98 35.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.722 HG23 ' OE2' ' A' ' 59' ' ' GLU . 48.2 t -106.75 102.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CE1' HG12 ' A' ' 75' ' ' ILE . 94.6 m-85 -95.16 122.42 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.49 118.74 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 107' ' ' VAL . 20.2 mt -104.59 96.55 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.71 -166.43 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.348 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 m -87.64 -31.65 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.48 -43.22 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.37 149.86 0.29 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.904 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.18 10.36 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.387 -0.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -34.32 -45.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.6 m -106.61 174.59 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 137.22 27.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 136.96 34.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -72.02 107.78 2.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.627 HG22 ' CD1' ' A' ' 77' ' ' ILE . 24.9 mt -101.16 134.27 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.5 ' C ' HD12 ' A' ' 77' ' ' ILE . 18.1 m -129.01 115.14 17.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.627 ' CD1' HG22 ' A' ' 75' ' ' ILE . 1.4 mp -105.19 112.85 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -145.17 119.9 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -126.03 146.22 49.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -65.7 -19.19 65.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.79 -52.09 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.92 159.68 25.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.5 p -98.43 166.23 11.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 88' ' ' VAL . 6.2 tpt180 -51.03 -50.0 59.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.68 -67.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -43.63 -42.17 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -57.32 -53.65 55.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 84' ' ' ARG . 93.6 t -47.13 -50.02 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.2 m -51.97 -62.13 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 94' ' ' LEU . 41.2 t -38.55 -64.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -43.64 -57.42 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -42.88 -51.2 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.69 ' HG3' HG23 ' A' ' 121' ' ' ILE . 62.5 mmtt -57.94 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.588 HD22 HG21 ' A' ' 75' ' ' ILE . 3.3 mp -48.12 -55.68 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.17 -48.98 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.47 -45.16 62.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -68.16 -44.33 76.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -39.64 -58.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -37.58 -63.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 t -50.9 -36.56 38.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 9.0 mt -93.76 39.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.22 172.59 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 m 41.66 30.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -153.92 160.56 30.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 99.78 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' VAL . 19.1 ptp -101.32 -40.99 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.784 ' O ' HG23 ' A' ' 111' ' ' VAL . 59.6 t -33.84 -54.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.492 ' HA ' HD21 ' A' ' 19' ' ' LEU . 11.9 t-160 -65.9 -57.69 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -50.12 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . 18.5 mt -34.49 -51.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 107' ' ' VAL . 88.0 t -53.34 -44.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' GLU . 33.1 mt -78.15 -13.92 59.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -85.5 -45.27 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.9 tp -71.68 -25.26 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.97 -34.41 74.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -104.7 -39.8 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.0 36.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 tt -82.49 -57.57 3.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 28.3 ptt180 -59.1 -41.29 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.424 ' N ' ' HG3' ' A' ' 119' ' ' ARG . 8.0 t-80 -51.34 -62.83 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.69 HG23 ' HG3' ' A' ' 93' ' ' LYS . 74.3 mt -36.75 -44.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.761 0.315 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -72.9 -60.03 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.0 mm-40 -41.69 -41.16 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.66 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.884 HD11 HG21 ' A' ' 40' ' ' THR . 83.0 mt -46.09 -45.68 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 t -66.89 -62.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 14' ' ' GLU . 48.3 t -43.49 -43.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.8 mt -52.12 -47.2 65.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -24.51 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.66 -46.58 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.642 HD13 ' NE2' ' A' ' 108' ' ' HIS . 40.7 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.838 0.352 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.714 ' CE3' HG21 ' A' ' 44' ' ' ILE . 16.9 t-105 -123.16 122.39 38.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -142.27 142.03 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' LEU . 53.8 t -119.81 98.03 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.825 HD12 HG12 ' A' ' 41' ' ' VAL . 53.2 mt -36.25 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -160.83 146.44 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.884 HG21 HD11 ' A' ' 16' ' ' LEU . 88.0 m -144.75 123.67 12.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 111.183 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.825 HG12 HD12 ' A' ' 32' ' ' LEU . 52.6 t -118.93 116.83 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 26.1 p90 -138.23 152.15 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.638 ' HG3' HG22 ' A' ' 61' ' ' VAL . 31.1 ttp180 -137.06 127.7 26.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.714 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 pp -123.47 143.96 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -92.1 127.94 37.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.644 HG21 HD12 ' A' ' 60' ' ' LEU . 7.9 t -135.28 160.07 39.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -128.49 126.73 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.44 -176.94 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.38 4.34 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.3 -142.69 44.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.93 -32.81 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' ASP . 5.0 ptm -131.88 83.02 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.4 t70 35.37 43.85 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -132.3 160.82 35.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.43 136.39 41.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.629 HG23 ' HD2' ' A' ' 57' ' ' PRO . 37.6 mm -117.45 138.18 24.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.588 0.708 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 tp -98.08 125.23 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -108.58 101.25 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.74 HD13 HG22 ' A' ' 111' ' ' VAL . 10.0 mt -99.61 105.02 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.638 HG22 ' HG3' ' A' ' 43' ' ' ARG . 45.8 t -106.92 103.66 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.61 ' CD2' HG13 ' A' ' 107' ' ' VAL . 66.3 m-85 -100.77 127.9 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -116.22 120.02 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.635 HD22 ' CE2' ' A' ' 68' ' ' TYR . 2.6 mt -103.56 96.45 8.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HG2' ' SG ' ' A' ' 71' ' ' CYS . 53.8 Cg_endo -69.7 -168.2 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -63.29 -69.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' VAL . 5.2 m120 -33.85 -53.37 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.635 ' CE2' HD22 ' A' ' 64' ' ' LEU . 3.2 t80 -34.75 142.57 0.24 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.79 -11.3 11.91 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.375 -0.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' PRO . 28.6 m -34.12 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 65' ' ' PRO . 1.4 p -110.56 165.55 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.48 143.01 78.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HB3' HD23 ' A' ' 64' ' ' LEU . 53.9 Cg_endo -69.74 138.46 37.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.32 90.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.26 134.51 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.0 m -138.14 117.94 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 94' ' ' LEU . 21.8 mm -108.58 118.3 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -149.74 122.81 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 t -124.42 135.91 53.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.29 -10.29 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -104.91 -56.54 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 mt -57.7 163.58 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 48.7 p -97.98 175.4 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.3 -62.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.35 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -48.81 -25.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 m -88.68 -66.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -38.92 -33.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.0 m -63.87 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.422 HG13 ' CD1' ' A' ' 114' ' ' ILE . 48.9 t -38.84 -47.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HG2' HD23 ' A' ' 95' ' ' LEU . 68.1 tttt -59.24 -61.03 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 18.2 mt-10 -34.83 -45.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -67.39 -54.45 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 77' ' ' ILE . 38.0 mt -44.64 -41.13 6.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.454 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.1 mm? -54.3 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -41.12 -52.05 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.89 -55.08 39.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.679 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -36.92 -58.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' LEU . 20.2 mt-10 -42.21 -65.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 t -47.04 -28.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.46 30.22 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 99' ' ' GLU . 9.4 mt -65.19 159.24 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.8 m 51.59 26.85 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -153.03 160.68 30.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.25 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.234 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.679 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 6.5 ptp -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.61 HG13 ' CD2' ' A' ' 62' ' ' PHE . 54.3 t -41.51 -50.42 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.642 ' NE2' HD13 ' A' ' 22' ' ' ILE . 10.2 t-160 -67.42 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 110' ' ' LEU . 28.0 mt-10 -41.97 -63.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLU . 16.0 mt -36.36 -58.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.74 HG22 HD13 ' A' ' 60' ' ' LEU . 37.8 t -43.31 -49.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.604 HD11 ' NE2' ' A' ' 108' ' ' HIS . 10.6 mt -70.82 -33.56 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.568 HG23 ' N ' ' A' ' 115' ' ' GLN . 6.4 tp -61.65 -49.87 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.568 ' N ' HG23 ' A' ' 114' ' ' ILE . 4.0 mm100 -40.11 -40.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -88.18 -35.6 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -103.74 40.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' ILE . 45.7 tp -79.67 -49.52 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -44.6 -52.8 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.414 HD12 ' CD1' ' A' ' 114' ' ' ILE . 62.8 mt -65.81 -46.71 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.914 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG13 HD13 ' A' ' 64' ' ' LEU . 61.6 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.758 0.313 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -53.45 -50.81 64.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . 16.7 mm-40 -48.98 -65.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' GLU . 21.7 tt0 -35.81 -50.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.91 -43.59 98.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 15.3 t -64.38 -52.16 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -48.22 -57.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.3 mt -48.07 -40.45 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -46.11 -34.73 4.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.96 -58.42 4.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 22' ' ' ILE . 3.0 mp . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 1.4 mp0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.708 ' CE3' HG21 ' A' ' 44' ' ' ILE . 71.7 t-105 -99.72 118.97 37.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.663 ' H ' HG22 ' A' ' 44' ' ' ILE . 12.9 tt0 -144.39 124.07 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 42' ' ' PHE . 84.5 t -114.87 110.01 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.63 -61.58 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -152.27 143.16 23.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -124.94 124.8 42.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.87 127.62 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.594 ' HB3' HG13 ' A' ' 31' ' ' VAL . 40.5 p90 -148.92 149.4 31.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.729 ' HG3' HG22 ' A' ' 61' ' ' VAL . 20.4 ttt180 -131.07 102.79 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.708 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.0 pp -106.35 150.85 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.489 ' CD2' ' OE2' ' A' ' 59' ' ' GLU . 38.8 m170 -100.44 144.7 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 58' ' ' LEU . 11.7 t -140.98 154.59 46.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.51 136.12 54.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 118' ' ' LEU . . . -109.13 169.24 8.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.74 -14.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 53.25 -126.92 35.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 28.1 m-85 -147.04 116.39 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 mtm 74.97 45.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.72 28.8 18.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.79 100.04 9.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.26 127.17 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.2 mt -113.76 131.75 22.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.79 18.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 58' ' ' LEU . 3.8 mm? -116.82 162.15 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 45' ' ' HIS . 3.6 tp10 -136.1 106.78 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.04 118.15 31.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.729 HG22 ' HG3' ' A' ' 43' ' ' ARG . 97.6 t -112.65 103.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 95.9 m-85 -98.52 119.9 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -110.75 115.42 29.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD13 HG13 ' A' ' 12' ' ' VAL . 41.9 mt -94.67 105.09 16.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.0 m -91.07 -24.73 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' TYR . 5.5 m120 -80.66 -41.79 23.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.615 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -35.67 148.51 0.14 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.79 3.09 4.58 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.492 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 49.0 m -76.42 45.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 47.9 t -176.05 154.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.492 HD11 ' HG3' ' A' ' 99' ' ' GLU . 4.3 mm? -83.04 128.46 65.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 151.84 69.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.26 82.04 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 mt -78.3 138.65 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 t -142.2 134.76 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.6 mm -126.6 123.08 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -157.09 121.4 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.5 t -124.91 149.94 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.08 -27.15 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -87.91 -61.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 mt -55.47 146.69 19.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.4 p -82.12 169.57 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.7 ' O ' HG23 ' A' ' 88' ' ' VAL . 65.0 ttt180 -56.93 -65.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.55 -36.54 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.59 -65.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 p -48.7 -31.61 7.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 84' ' ' ARG . 93.0 t -66.15 -45.15 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.5 m -60.82 -40.98 94.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.3 t -55.57 -56.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HG2' HD23 ' A' ' 95' ' ' LEU . 39.2 tttt -53.46 -56.64 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -40.66 -42.45 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -63.14 -49.6 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.8 mt -54.68 -42.41 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.475 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.3 mm? -51.39 -55.16 20.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.92 -54.89 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -55.15 -47.67 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.13 -59.31 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 102' ' ' LEU . 28.3 mt-10 -46.43 -64.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -52.21 -35.76 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.403 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 10.1 mt -91.81 38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 99' ' ' GLU . 3.8 mt -75.84 162.35 28.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 t 56.65 39.82 29.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.5 pt-20 -166.62 155.47 9.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.88 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -85.02 -31.67 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 111' ' ' VAL . 96.3 t -35.76 -51.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -71.02 -54.31 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' LEU . 67.3 mm-40 -47.0 -66.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.483 HD13 ' HE1' ' A' ' 62' ' ' PHE . 13.7 mt -35.66 -63.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 107' ' ' VAL . 86.7 t -36.7 -57.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.8 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.531 ' CZ3' HD11 ' A' ' 121' ' ' ILE . 87.0 t90 -46.42 -67.93 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 121' ' ' ILE . 4.9 tp -53.53 -41.8 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -54.52 -27.79 40.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -94.82 -51.26 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.45 ' OD1' ' CD2' ' A' ' 113' ' ' TRP . 0.5 OUTLIER -89.28 35.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.442 HD13 ' C ' ' A' ' 118' ' ' LEU . 1.1 tm? -60.95 -67.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 17.5 ptt180 -59.11 -46.92 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 120' ' ' HIS . 2.3 t60 -42.28 -46.84 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 114' ' ' ILE . 78.8 mt -64.69 -64.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 37.7 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.753 0.311 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 20.5 mt-10 -61.16 -60.98 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -42.5 -48.97 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.447 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 95.3 mt -58.57 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -43.81 -56.14 4.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 85.4 t -47.82 -56.48 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.805 HD11 HG11 ' A' ' 107' ' ' VAL . 14.7 mt -48.21 -54.17 14.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.86 -28.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -74.33 -47.03 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.499 HD13 ' CD2' ' A' ' 108' ' ' HIS . 50.2 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.78 ' CE3' HG21 ' A' ' 44' ' ' ILE . 26.9 t-105 -110.56 111.53 22.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -126.47 140.5 52.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.706 HG23 ' HB3' ' A' ' 42' ' ' PHE . 2.4 p -127.74 106.09 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.56 -66.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.0 t -145.29 160.5 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.816 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.0 m -145.71 126.47 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -126.98 133.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.706 ' HB3' HG23 ' A' ' 31' ' ' VAL . 13.4 p90 -149.26 147.58 28.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -124.91 116.59 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.78 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -111.39 148.37 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.862 HG21 HD12 ' A' ' 60' ' ' LEU . 7.3 t -133.78 157.71 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -134.38 135.24 42.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -99.51 171.41 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.94 -9.84 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.525 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 66.43 -148.29 50.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -122.33 -54.02 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.615 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -105.39 74.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' MET . 0.1 OUTLIER 35.11 50.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.615 ' HB3' ' SD ' ' A' ' 52' ' ' MET . . . -144.69 119.37 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.1 120.49 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.525 HD12 ' HA2' ' A' ' 50' ' ' GLY . 30.3 mt -91.76 131.75 34.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 93.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.412 ' HB3' HG23 ' A' ' 46' ' ' THR . 1.3 tt -100.9 142.65 32.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -116.1 120.36 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.862 HD12 HG21 ' A' ' 46' ' ' THR . 3.8 mt -115.75 131.27 56.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.28 107.85 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 75' ' ' ILE . 91.2 m-85 -98.78 138.52 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -119.66 131.76 55.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 44.1 mt -106.32 96.75 14.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.4 Cg_endo -69.82 -164.69 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.3 m -94.95 -13.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 71' ' ' CYS . 88.0 m-20 -85.09 -43.26 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.96 150.14 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.701 0.763 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.75 1.08 5.47 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.344 -0.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.489 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.3 t -78.79 44.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 67' ' ' ASN . 5.7 t -175.27 170.8 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -93.92 131.24 32.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.4 50.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.32 92.63 0.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 62' ' ' PHE . 92.1 mt -89.38 138.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -130.86 109.61 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.04 124.19 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -155.48 119.94 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.533 ' HB3' HD12 ' A' ' 82' ' ' LEU . 1.9 t -126.06 124.62 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' GLU . 8.8 tm-20 -42.83 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 79' ' ' SER . 7.3 mm100 -87.89 -57.32 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 79' ' ' SER . 44.6 mt -57.21 175.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -117.67 178.35 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 88' ' ' VAL . 14.8 ttm180 -59.65 -60.32 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.5 -56.69 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -48.49 -53.22 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' VAL . 33.3 m -51.87 -59.28 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 84' ' ' ARG . 88.5 t -37.47 -44.45 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -58.61 -50.34 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.06 -55.67 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 12.4 tmtt? -48.94 -51.88 27.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 51.8 mm-40 -50.19 -44.8 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -57.85 -60.9 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD22 HG21 ' A' ' 75' ' ' ILE . 3.9 mp -41.47 -44.62 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.468 ' CD2' ' HE2' ' A' ' 91' ' ' LYS . 4.3 mm? -60.5 -52.42 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -48.06 -44.17 31.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' ALA . 7.6 mm100 -65.49 -53.68 39.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.629 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -35.69 -55.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -39.4 -59.29 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.3 mt -98.86 36.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.88 174.45 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t 41.98 27.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -148.34 161.39 34.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 84.98 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.629 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 19.9 ptp -81.59 -39.17 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 19' ' ' LEU . 42.3 t -33.88 -59.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.499 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.7 t-160 -64.84 -67.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.6 mt-10 -36.73 -64.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 75' ' ' ILE . 14.8 mt -38.4 -63.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.541 HG22 HD13 ' A' ' 60' ' ' LEU . 21.6 t -36.65 -60.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.439 HD23 ' OE1' ' A' ' 115' ' ' GLN . 45.9 mt -58.05 -45.55 86.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -49.84 -59.06 4.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 121' ' ' ILE . 5.6 tp -67.08 -37.59 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.439 ' OE1' HD23 ' A' ' 112' ' ' LEU . 41.5 mt-30 -48.47 -33.07 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -104.53 -36.39 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -95.12 45.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.4 HD13 ' CB ' ' A' ' 48' ' ' ALA . 10.4 tt -87.74 -55.24 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.56 -32.0 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -59.19 -35.39 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 114' ' ' ILE . 77.4 mt -66.57 -50.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.897 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.706 HG22 ' CE1' ' A' ' 68' ' ' TYR . 92.4 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.776 0.322 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -60.13 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mt-10 -46.84 -46.2 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -52.36 -58.56 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -51.38 -45.57 62.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t -61.09 -61.01 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 95.9 t -48.0 -51.12 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.671 HD21 ' HB2' ' A' ' 108' ' ' HIS . 30.0 mt -54.11 -56.91 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.85 -33.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -58.9 -52.72 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.839 0.352 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CE3' HG21 ' A' ' 44' ' ' ILE . 68.8 t-105 -127.25 105.71 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 44' ' ' ILE . 2.5 tp10 -130.14 140.47 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 42' ' ' PHE . 2.1 p -130.08 108.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.6 mt -51.82 -61.05 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.0 t -145.98 141.44 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -149.15 123.89 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.1 t -131.69 145.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 31' ' ' VAL . 12.8 p90 -163.41 162.52 24.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -139.14 107.19 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.87 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.0 pp -109.31 152.16 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -88.44 128.23 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 1.014 HG21 HD12 ' A' ' 60' ' ' LEU . 13.3 t -130.79 153.93 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -123.69 161.89 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' A' ' 118' ' ' LEU . . . -135.85 167.35 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLY . 10.1 mm-40 -62.75 85.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.33 151.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.35 -37.32 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 ptp -114.55 37.35 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.04 54.66 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.86 116.02 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 112.67 0.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 59.2 mt -102.38 132.47 21.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.18 15.67 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.2 mt -130.09 151.38 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.72 ' OE1' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -117.77 107.86 14.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.014 HD12 HG21 ' A' ' 46' ' ' THR . 6.0 mt -114.91 115.02 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.72 HG23 ' OE1' ' A' ' 59' ' ' GLU . 80.5 t -112.15 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -92.97 120.6 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.55 114.9 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD21 HG21 ' A' ' 107' ' ' VAL . 38.2 mt -95.5 104.48 15.95 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.1 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.5 m -87.62 -29.86 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 68' ' ' TYR . 40.2 m-80 -71.17 -44.55 65.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -33.18 146.32 0.1 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.713 0.768 . . . . 0.0 110.938 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.564 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.74 2.12 4.98 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.472 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.5 m -80.0 43.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 46.3 t -175.19 151.49 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.59 124.48 79.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.29 44.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.55 93.59 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.577 HG21 HD22 ' A' ' 94' ' ' LEU . 59.7 mt -91.11 142.56 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -130.86 146.13 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.534 HD11 HD21 ' A' ' 60' ' ' LEU . 30.1 mm -136.49 116.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.22 119.9 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.536 ' HB3' HD12 ' A' ' 82' ' ' LEU . 3.0 t -126.12 140.0 52.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.27 -33.34 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -82.08 -57.1 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.632 HD21 HD11 ' A' ' 122' ' ' LEU . 16.6 mt -43.52 164.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -107.06 155.98 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 88' ' ' VAL . 9.9 ttt85 -49.38 -38.67 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.06 -45.18 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' VAL . 30.6 mt-30 -68.26 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' GLN . 20.5 p -36.17 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 84' ' ' ARG . 95.4 t -79.24 -54.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -47.1 -41.36 17.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.811 ' HA ' HG21 ' A' ' 121' ' ' ILE . 61.2 t -62.21 -54.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HE2' HD21 ' A' ' 95' ' ' LEU . 11.1 tmtt? -54.04 -47.08 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 5.3 mm-40 -49.52 -47.01 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -59.48 -56.87 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.577 HD22 HG21 ' A' ' 75' ' ' ILE . 4.4 mp -39.12 -54.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.496 HD21 ' HE2' ' A' ' 91' ' ' LYS . 4.6 mm? -52.24 -59.14 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -41.87 -36.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm100 -72.58 -50.05 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -35.19 -56.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -38.41 -64.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -51.45 -39.31 57.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -90.65 40.23 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.88 175.98 8.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.0 t 43.91 26.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -153.1 161.45 29.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.78 -31.0 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.624 HG21 HD21 ' A' ' 64' ' ' LEU . 49.1 t -41.84 -50.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.671 ' HB2' HD21 ' A' ' 19' ' ' LEU . 18.0 t-80 -74.01 -63.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 110' ' ' LEU . 26.4 mm-40 -41.23 -62.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.442 HD13 HD11 ' A' ' 75' ' ' ILE . 19.1 mt -35.65 -54.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.9 t -47.41 -55.2 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.571 HD23 ' OE1' ' A' ' 115' ' ' GLN . 69.5 mt -61.73 -45.88 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -53.42 -52.79 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.572 ' CD1' HD12 ' A' ' 121' ' ' ILE . 8.8 tp -69.07 -40.19 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.571 ' OE1' HD23 ' A' ' 112' ' ' LEU . 53.5 mt-30 -46.15 -39.23 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -97.21 -41.64 8.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -88.83 41.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 48' ' ' ALA . 13.8 tp -86.51 -41.84 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.3 ptt-85 -66.02 -41.34 91.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -51.0 -57.34 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.811 HG21 ' HA ' ' A' ' 90' ' ' VAL . 75.1 mt -57.93 -39.43 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 82' ' ' LEU . 14.6 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -63.0 -50.87 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 18' ' ' VAL . 14.5 mt-10 -47.37 -57.23 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' SER . 30.0 tt0 -55.64 -60.07 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' GLU . 46.4 mt -34.19 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 32.9 t -85.62 -54.52 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 14' ' ' GLU . 1.2 m -51.05 -38.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.765 ' HA ' HD12 ' A' ' 22' ' ' ILE . 12.7 mt -66.67 -58.01 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.05 -31.33 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.2 79.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 19' ' ' LEU . 18.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 44' ' ' ILE . 16.0 mt-10 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.792 ' HA ' HG22 ' A' ' 44' ' ' ILE . 72.0 t-105 -98.43 110.44 23.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -135.77 124.18 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' A' ' 34' ' ' ARG . 2.8 p -105.64 97.13 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -44.39 -54.15 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -152.78 132.85 13.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' VAL . 17.3 ptt85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -119.47 115.49 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 31' ' ' VAL . 98.6 t -117.4 138.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.7 147.61 26.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.555 ' CB ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.84 119.74 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.792 HG22 ' HA ' ' A' ' 29' ' ' TRP . 2.9 pp -115.75 152.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -92.57 136.57 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.873 HG21 HD12 ' A' ' 60' ' ' LEU . 14.6 t -137.2 145.36 43.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -120.33 145.39 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.493 ' HB2' HD11 ' A' ' 58' ' ' LEU . . . -105.87 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.94 -10.88 60.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.54 131.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -52.48 -47.44 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.3 ptm -102.29 40.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t0 58.74 46.7 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.67 110.03 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.3 114.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 57' ' ' PRO . 23.2 mm -94.57 136.99 22.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.73 96.8 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 48' ' ' ALA . 9.7 mt -103.09 163.47 12.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' OE1' HG23 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -137.9 126.11 23.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.873 HD12 HG21 ' A' ' 46' ' ' THR . 6.0 mt -128.5 123.08 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.555 HG22 ' CB ' ' A' ' 43' ' ' ARG . 89.7 t -119.86 109.12 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.845 ' CD2' HG13 ' A' ' 107' ' ' VAL . 95.6 m-85 -104.51 140.55 37.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -124.8 123.09 39.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 52.7 mt -105.35 96.6 11.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.9 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m -87.41 -29.53 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -75.57 -40.99 55.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.561 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -41.88 145.77 0.68 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.94 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.77 -13.73 12.44 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.376 -0.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' PRO . 5.6 t -34.17 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.64 173.47 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.29 131.33 38.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 140.12 41.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.84 112.48 4.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.502 HG12 ' CD1' ' A' ' 62' ' ' PHE . 55.0 mt -110.61 141.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -137.73 138.08 38.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 60' ' ' LEU . 23.9 mm -129.0 121.91 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.95 119.76 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.3 t -126.21 140.69 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.52 -26.58 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -89.98 -61.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 86' ' ' GLN . 31.3 mt -38.92 152.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 p -102.84 155.45 18.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.725 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -42.74 -45.59 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.1 97.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' VAL . 92.0 mt-30 -72.55 -64.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 86' ' ' GLN . 12.8 p -35.98 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 84' ' ' ARG . 95.0 t -80.55 -51.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -49.71 -47.96 50.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.69 -54.14 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -56.58 -58.62 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 18.6 mm-40 -40.13 -55.66 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -52.06 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.86 -49.51 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.412 HD21 ' HB ' ' A' ' 75' ' ' ILE . 4.5 mm? -56.46 -50.77 70.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -52.69 -47.83 66.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm-40 -62.6 -48.72 78.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.757 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -36.53 -59.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ALA . 8.7 mt-10 -36.73 -65.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.6 m -48.02 -31.54 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' ALA . 10.6 mt -96.03 36.23 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.401 ' O ' ' OE2' ' A' ' 104' ' ' GLU . 8.6 mt -70.65 159.79 33.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m 57.44 44.96 20.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.9 pt-20 -173.48 156.76 2.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 87.33 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.757 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 22.5 ptp -80.08 -40.89 26.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.845 HG13 ' CD2' ' A' ' 62' ' ' PHE . 59.4 t -33.61 -55.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -64.4 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -39.41 -59.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.4 mt -44.84 -58.52 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 107' ' ' VAL . 92.5 t -39.81 -44.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.66 -43.44 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -54.99 -52.68 62.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.798 HD12 HD12 ' A' ' 121' ' ' ILE . 7.5 tp -66.66 -44.02 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.484 ' N ' HG23 ' A' ' 114' ' ' ILE . 43.4 mt-30 -45.19 -44.42 10.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.12 -46.16 9.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.48 38.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.764 ' O ' HD13 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -72.53 -39.86 67.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.959 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -84.43 -41.18 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -51.41 -33.82 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.798 HD12 HD12 ' A' ' 114' ' ' ILE . 96.5 mt -75.09 -48.73 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.808 0.337 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -78.94 -55.07 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 18' ' ' VAL . 9.4 pt-20 -47.26 -31.16 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HA ' HG12 ' A' ' 18' ' ' VAL . 11.6 tt0 -74.35 -47.62 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 40' ' ' THR . 84.7 mt -60.63 -28.78 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -87.2 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 14' ' ' GLU . 7.2 p -40.63 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.9 mt -83.12 -48.85 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.5 -26.28 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -57.45 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.8 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.815 0.341 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.512 ' HA ' HG22 ' A' ' 44' ' ' ILE . 53.2 t-105 -105.52 104.12 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -126.07 106.96 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.848 HG23 ' HB3' ' A' ' 42' ' ' PHE . 4.1 p -104.96 103.09 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -40.67 -57.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -156.36 152.2 27.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.505 HG21 HD21 ' A' ' 16' ' ' LEU . 28.4 m -124.57 125.33 44.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.158 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.77 129.52 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.848 ' HB3' HG23 ' A' ' 31' ' ' VAL . 5.8 p90 -147.4 160.48 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -139.74 132.08 28.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.3 pp -129.3 146.21 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -89.48 123.83 33.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.583 HG21 HD12 ' A' ' 60' ' ' LEU . 12.7 t -129.33 152.57 48.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -127.08 132.74 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -100.85 177.71 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.34 -9.8 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.609 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 51.97 -126.54 30.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 27.3 m-85 -148.99 116.84 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 ttm 73.12 52.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 53.39 29.75 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.59 101.54 9.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.38 135.72 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.609 HD12 ' HA2' ' A' ' 50' ' ' GLY . 67.5 mt -118.22 132.39 23.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.76 116.91 4.78 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 118' ' ' LEU . 25.6 mt -117.52 132.48 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -110.8 100.63 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.583 HD12 HG21 ' A' ' 46' ' ' THR . 9.6 mt -102.64 118.46 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -113.5 105.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.891 ' CD2' HG13 ' A' ' 107' ' ' VAL . 55.2 m-85 -96.78 126.93 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -117.21 115.57 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.07 105.78 19.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.6 m -97.71 -9.9 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -94.54 -37.43 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -41.92 149.81 0.4 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.71 -14.91 12.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.339 -0.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' PRO . 14.6 t -34.4 -46.62 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 t -106.71 167.36 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.464 HD13 ' OE1' ' A' ' 99' ' ' GLU . 22.0 mt -85.56 138.08 36.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.66 65.42 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.67 106.32 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.49 ' HB ' HD21 ' A' ' 95' ' ' LEU . 31.8 mt -104.47 141.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 t -142.85 121.37 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.69 118.07 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -148.55 120.0 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 t -125.87 148.62 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.9 -26.57 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -87.71 -58.17 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.7 140.12 19.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.4 p -84.12 156.44 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.609 ' O ' HG23 ' A' ' 88' ' ' VAL . 18.9 ttp-105 -43.07 -41.2 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.42 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -74.98 -64.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 p -39.92 -29.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.6 t -75.27 -52.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.4 m -47.09 -57.72 4.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -46.49 -65.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 12.6 tmtt? -45.25 -50.34 11.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.457 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 13.3 mt-10 -51.35 -33.96 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -73.61 -54.49 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.64 -52.4 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.49 HD21 ' HB ' ' A' ' 75' ' ' ILE . 4.4 mm? -51.59 -52.42 47.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -50.23 -44.2 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -62.83 -51.15 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.464 ' OE1' HD13 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -42.66 -58.93 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 t -64.7 -30.25 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.7 34.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.12 176.22 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 44.17 31.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -162.26 160.47 21.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 105.96 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -100.17 -24.61 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.891 HG13 ' CD2' ' A' ' 62' ' ' PHE . 92.6 t -44.55 -46.39 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -76.42 -65.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -37.9 -53.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 114' ' ' ILE . 45.1 mt -48.51 -46.36 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.499 HG22 HD13 ' A' ' 60' ' ' LEU . 39.3 t -58.83 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.6 mt -53.01 -24.65 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.444 ' O ' ' CG ' ' A' ' 117' ' ' ASN . 46.6 t90 -69.77 -67.54 0.48 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.693 ' CD1' HD12 ' A' ' 121' ' ' ILE . 3.2 tp -60.89 -51.72 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.611 ' N ' HG23 ' A' ' 114' ' ' ILE . 16.4 mm100 -47.42 -24.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -98.1 -38.55 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 113' ' ' TRP . 0.9 OUTLIER -119.59 55.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.508 ' CD2' HD12 ' A' ' 122' ' ' LEU . 6.1 tt -82.52 -43.98 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -55.94 -42.89 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -45.56 -57.55 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.693 HD12 ' CD1' ' A' ' 114' ' ' ILE . 96.6 mt -58.55 -43.72 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.508 HD12 ' CD2' ' A' ' 118' ' ' LEU . 20.6 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.847 HG23 ' CE1' ' A' ' 68' ' ' TYR . 10.3 t . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -88.02 -55.69 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.1 pt-20 -57.65 -32.29 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -47.38 81.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.21 -42.73 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 62.1 p -75.05 -63.45 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 14' ' ' GLU . 72.0 t -44.62 -55.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.9 mt -49.93 -33.55 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -64.02 -29.41 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.38 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.842 0.353 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.665 ' CE3' HG21 ' A' ' 44' ' ' ILE . 33.3 t-105 -103.03 118.24 36.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -138.95 137.72 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG13 ' HB3' ' A' ' 42' ' ' PHE . 94.7 t -115.9 96.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.2 mt -38.03 -67.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -163.02 157.48 20.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.0 m -97.5 129.82 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.92 144.33 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.476 ' HB3' HG13 ' A' ' 31' ' ' VAL . 51.0 p90 -163.68 146.32 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' A' ' 61' ' ' VAL . 34.5 ttm180 -123.53 118.89 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.665 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.7 pp -124.26 151.26 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 58' ' ' LEU . 3.9 t-80 -104.07 130.1 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -124.29 163.58 21.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 12.3 pttp -131.29 124.61 30.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' N ' HE22 ' A' ' 115' ' ' GLN . . . -102.04 159.6 15.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -58.69 85.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.18 144.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 119' ' ' ARG . 12.0 m-85 -52.58 -18.22 1.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 ptp -120.88 34.36 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 55.73 53.16 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.91 119.79 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.52 134.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 57' ' ' PRO . 30.4 mt -121.08 138.52 27.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.81 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.579 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 8.5 mt -128.95 133.58 47.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.487 ' OE2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -111.32 114.22 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 7.0 mt -116.45 128.52 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.493 HG22 ' HG3' ' A' ' 43' ' ' ARG . 20.9 t -127.06 101.16 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.859 ' CG ' HG13 ' A' ' 107' ' ' VAL . 84.3 m-85 -93.23 145.21 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -127.34 111.43 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.934 HD21 HG21 ' A' ' 107' ' ' VAL . 12.6 mt -102.91 96.5 7.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -168.33 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.635 2.223 . . . . 0.0 112.369 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.5 m -86.94 -17.03 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 70' ' ' SER . 29.7 m-20 -80.7 -44.47 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.847 ' CE1' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -47.36 149.22 1.96 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.7 -14.88 12.42 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' PRO . 1.4 t -34.38 -45.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 98.0 m -112.96 154.4 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.78 137.83 87.94 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 175.39 8.14 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.35 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.2 84.21 0.4 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.636 HG21 HD13 ' A' ' 94' ' ' LEU . 24.6 mt -73.43 143.55 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -137.3 121.38 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' A' ' 94' ' ' LEU . 42.8 mm -116.74 117.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.66 119.97 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.733 ' HB3' HD12 ' A' ' 82' ' ' LEU . 1.8 t -126.03 139.19 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.42 -25.83 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -88.96 -52.26 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' A' ' 79' ' ' SER . 18.7 mt -61.64 149.03 40.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.6 p -86.16 -178.65 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 88' ' ' VAL . 9.9 ttm180 -66.24 -55.74 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.32 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -68.59 -63.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 88' ' ' VAL . 1.4 p -45.63 -44.56 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.3 t -60.51 -43.61 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.4 m -58.76 -48.54 80.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.1 t -54.95 -60.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 95' ' ' LEU . 20.0 tttt -47.66 -58.8 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.41 -43.78 16.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -63.38 -59.93 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.636 HD13 HG21 ' A' ' 75' ' ' ILE . 24.1 mt -40.6 -44.3 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 91' ' ' LYS . 4.3 mm? -51.22 -64.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -40.59 -57.6 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -48.3 -57.69 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' LEU . 30.6 mt-10 -39.98 -68.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.4 t -45.51 -32.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.5 30.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.1 mt -66.84 173.68 3.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.448 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 7.1 m 40.73 25.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 102' ' ' LEU . 4.3 mt-10 -150.06 161.44 31.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 114.09 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.431 ' HB2' ' CD1' ' A' ' 110' ' ' LEU . 16.9 ptp -111.74 -45.53 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.934 HG21 HD21 ' A' ' 64' ' ' LEU . 38.6 t -35.27 -44.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -74.88 -65.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.0 mm-40 -46.23 -60.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 106' ' ' MET . 53.9 mt -35.21 -56.19 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 107' ' ' VAL . 66.6 t -48.68 -58.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.53 -32.46 68.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.51 ' CH2' HD11 ' A' ' 121' ' ' ILE . 61.4 t90 -68.02 -45.79 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.481 HD12 HD12 ' A' ' 121' ' ' ILE . 8.0 tp -74.93 -31.7 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.411 HE22 ' N ' ' A' ' 48' ' ' ALA . 4.2 mm100 -65.15 -27.72 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -101.82 -39.78 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -97.32 39.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.12 -52.63 13.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 119' ' ' ARG . 3.9 ptm85 -64.36 -40.97 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -55.05 -44.85 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.51 HD11 ' CH2' ' A' ' 113' ' ' TRP . 77.7 mt -74.45 -41.92 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.788 0.328 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -90.28 -47.68 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 1.033 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.1 pp20? -51.82 -40.06 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 16' ' ' LEU . 14.9 tt0 -60.19 -68.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 15' ' ' GLU . 75.6 mt -33.73 -38.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' GLU . 16.3 t -79.81 -51.09 9.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 1.033 HG23 ' O ' ' A' ' 14' ' ' GLU . 46.4 t -51.67 -34.59 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.16 -44.85 90.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.61 -22.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.11 -50.95 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 108' ' ' HIS . 73.0 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.719 ' CE3' HG21 ' A' ' 44' ' ' ILE . 33.1 t-105 -113.29 110.12 19.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -127.52 132.64 49.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.586 HG11 ' HD2' ' A' ' 34' ' ' ARG . 38.9 t -117.36 102.58 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.0 -64.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -161.45 154.57 21.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.586 ' HD2' HG11 ' A' ' 31' ' ' VAL . 26.9 mtp180 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.415 HG23 ' HG2' ' A' ' 34' ' ' ARG . 28.8 m -97.16 126.4 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.69 146.41 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -162.83 161.58 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.548 ' NH1' HG21 ' A' ' 61' ' ' VAL . 12.2 ttt85 -139.93 110.91 6.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.719 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.4 pp -112.14 150.2 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -96.07 130.24 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.525 ' CG2' HD23 ' A' ' 58' ' ' LEU . 1.4 t -132.92 158.15 43.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -130.55 134.19 46.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.81 -177.3 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.73 -6.1 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.54 -160.73 53.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -112.3 -52.5 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.342 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.8 ptm -99.11 39.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 64.26 42.18 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.44 118.48 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -47.09 127.49 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 57' ' ' PRO . 47.9 mm -108.94 138.66 20.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.4 Cg_endo -69.79 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.525 HD23 ' CG2' ' A' ' 46' ' ' THR . 59.0 tp -99.71 141.27 32.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -122.9 124.7 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.81 125.73 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.548 HG21 ' NH1' ' A' ' 43' ' ' ARG . 53.2 t -116.13 104.45 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.7 ' CD2' HG13 ' A' ' 107' ' ' VAL . 61.8 m-85 -97.28 150.48 20.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -136.47 120.44 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD21 HG21 ' A' ' 107' ' ' VAL . 6.4 mt -104.17 96.6 9.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.76 -164.8 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 67' ' ' ASN . 32.4 m -85.33 -39.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' SER . 6.5 m120 -67.62 -41.41 84.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.649 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.69 150.12 0.73 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.692 0.758 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.73 -8.48 10.47 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.363 -0.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 3.1 t -37.53 -46.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.6 t -107.32 162.54 13.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' A' ' 98' ' ' ALA . 4.3 mm? -70.44 133.95 86.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 157.65 59.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.376 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.32 91.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.19 143.86 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -138.76 143.87 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -128.14 113.1 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -156.74 119.98 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -125.99 155.41 41.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.83 -13.49 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' LEU . 7.5 mt-30 -103.4 -73.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' GLN . 68.6 mt -37.42 153.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 p -100.84 -179.61 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -58.07 -58.38 8.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.72 -61.32 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -43.06 -47.34 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.4 m -55.99 -56.91 15.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.7 t -40.47 -44.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.8 m -64.57 -66.03 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 94' ' ' LEU . 92.0 t -39.9 -52.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.482 ' HG2' HD23 ' A' ' 95' ' ' LEU . 44.4 tttt -60.97 -57.93 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -45.13 -24.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -85.38 -32.41 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 90' ' ' VAL . 4.1 mp -71.3 -35.99 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.3 mm? -66.52 -53.18 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 97' ' ' GLN . 6.5 pt-20 -52.55 -37.44 57.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 1.9 mp0 -71.63 -43.83 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.692 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -45.18 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.15 -64.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 t -51.34 -34.4 33.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 mt -89.55 25.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.4 mt -62.05 171.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t 40.89 25.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 102' ' ' LEU . 10.4 mt-10 -147.09 159.44 42.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.431 ' CB ' ' OE2' ' A' ' 15' ' ' GLU . 53.7 Cg_endo -69.76 82.88 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.692 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 20.7 ptp -81.51 -23.94 37.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.7 HG13 ' CD2' ' A' ' 62' ' ' PHE . 66.0 t -52.77 -49.45 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 22' ' ' ILE . 6.8 t-80 -71.85 -63.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -42.15 -59.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.9 mt -39.33 -50.65 2.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 107' ' ' VAL . 80.6 t -52.64 -43.99 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -80.92 -10.69 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.663 ' CH2' HD11 ' A' ' 121' ' ' ILE . 47.6 t90 -81.57 -58.58 2.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 115' ' ' GLN . 6.4 tp -60.54 -46.47 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.499 ' N ' HG23 ' A' ' 114' ' ' ILE . 41.7 mt-30 -37.84 -39.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -97.65 -38.62 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.469 ' O ' HD12 ' A' ' 121' ' ' ILE . 15.0 m-80 -93.24 44.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 118' ' ' LEU . 7.3 tt -97.3 -34.43 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -90.18 -52.42 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -45.4 -38.51 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.663 HD11 ' CH2' ' A' ' 113' ' ' TRP . 67.0 mt -67.85 -47.44 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.604 HG13 HD13 ' A' ' 64' ' ' LEU . 40.1 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.75 0.31 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 8.3 pt20 -52.47 -37.36 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 18' ' ' VAL . 46.3 mt-10 -65.01 -48.11 75.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.581 ' OE1' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -60.63 -52.24 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.3 mt -55.19 -42.68 73.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.1 t -68.35 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 14' ' ' GLU . 73.1 t -39.66 -50.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.5 mt -63.39 -44.68 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.07 -29.17 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.17 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.722 ' CE3' HG21 ' A' ' 44' ' ' ILE . 60.8 t-105 -97.86 130.71 44.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.94 136.86 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.3 t -123.89 99.09 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 HG12 ' A' ' 41' ' ' VAL . 55.8 mt -41.71 -69.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -139.23 150.39 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HA ' HG23 ' A' ' 40' ' ' THR . 32.3 ptt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 34' ' ' ARG . 94.6 m -89.12 132.09 34.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.166 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 32' ' ' LEU . 99.2 t -131.43 129.31 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -142.46 143.41 32.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.712 ' HB2' HG22 ' A' ' 61' ' ' VAL . 27.5 ptt180 -131.95 114.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.722 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -102.46 143.63 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -84.84 111.22 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 44' ' ' ILE . 5.8 t -127.19 165.03 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -133.7 149.88 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -105.86 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.84 -15.03 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.605 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 67.06 -125.19 24.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 14.7 m-85 -157.65 128.7 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' PHE . 24.4 ptm 47.45 51.18 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 62.52 47.84 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 51' ' ' PHE . . . -135.01 85.86 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 126.98 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 57' ' ' PRO . 68.8 mt -112.21 138.68 21.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 56' ' ' ILE . 54.1 Cg_endo -69.72 145.52 57.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 tp -151.46 136.67 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -120.18 100.79 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.819 HD13 HG22 ' A' ' 111' ' ' VAL . 5.5 mt -91.97 115.87 28.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.712 HG22 ' HB2' ' A' ' 43' ' ' ARG . 19.0 t -108.05 102.98 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.795 ' CD2' HG13 ' A' ' 107' ' ' VAL . 87.2 m-85 -98.48 128.06 44.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -107.68 119.81 40.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.604 HD13 HG13 ' A' ' 12' ' ' VAL . 41.9 mt -100.35 99.66 10.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.27 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.9 m -94.81 -28.75 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.19 -40.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.655 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.01 150.02 0.27 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.674 0.75 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.77 -7.82 10.2 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -38.73 -46.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -103.81 172.71 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.97 135.46 37.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.92 41.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.11 100.4 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.37 133.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 t -136.15 128.93 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 94' ' ' LEU . 43.4 mm -112.25 130.58 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -155.15 119.8 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 t -126.12 153.11 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -69.57 -23.5 63.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -96.71 -62.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.9 mt -50.33 146.31 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.7 p -95.25 -178.89 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -55.52 -36.65 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.32 60.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.467 ' HG3' ' CD2' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -65.24 -26.16 67.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 76.9 m -87.59 -57.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.9 -34.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 97.8 m -72.84 -69.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.621 HG13 HD13 ' A' ' 114' ' ' ILE . 85.7 t -37.12 -39.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.591 ' HA ' HD12 ' A' ' 94' ' ' LEU . 20.8 tttt -69.92 -65.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.37 -43.08 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 91' ' ' LYS . 11.0 mt -54.33 -44.51 72.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.62 -45.87 48.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -56.5 -53.01 62.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.545 ' OE1' ' CD2' ' A' ' 113' ' ' TRP . 23.1 mt-30 -57.45 -48.6 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -43.13 -61.42 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -55.09 -33.32 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -96.55 39.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' GLU . 11.8 mt -74.58 178.95 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' LEU . 7.5 t 37.76 29.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' LEU . 6.0 mm-40 -154.92 160.62 30.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.424 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -93.45 -32.61 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.795 HG13 ' CD2' ' A' ' 62' ' ' PHE . 61.2 t -38.47 -51.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.8 t-80 -71.51 -64.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' HIS . 14.2 mm-40 -36.09 -55.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 113' ' ' TRP . 14.9 mt -48.21 -62.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.819 HG22 HD13 ' A' ' 60' ' ' LEU . 71.7 t -35.84 -47.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.469 HD23 ' OE1' ' A' ' 115' ' ' GLN . 79.8 mt -72.52 -40.98 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.545 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 67.7 t90 -57.38 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 90' ' ' VAL . 6.5 tp -69.37 -47.82 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.519 ' N ' HG23 ' A' ' 114' ' ' ILE . 44.4 mt-30 -39.82 -35.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -99.64 -44.26 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.84 37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.476 HD13 ' CB ' ' A' ' 48' ' ' ALA . 2.4 tt -85.38 -40.59 16.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -79.18 -41.45 28.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.18 -35.17 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -73.25 -51.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 86' ' ' GLN . 8.0 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.766 0.317 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -63.15 -51.65 65.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -52.97 -61.0 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 19' ' ' LEU . 11.6 tp10 -39.91 -48.2 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 40' ' ' THR . 44.7 mt -62.2 -49.51 75.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -59.14 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -39.03 -51.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 15' ' ' GLU . 10.7 mt -65.74 -55.19 18.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.93 -22.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -80.31 -48.28 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.829 0.347 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CE3' HG21 ' A' ' 44' ' ' ILE . 44.1 t-105 -98.05 110.7 23.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -134.16 131.84 39.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 41' ' ' VAL . 2.8 p -113.68 126.52 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.32 -59.34 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -158.96 133.66 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.647 ' CB ' HG23 ' A' ' 40' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.647 HG23 ' CB ' ' A' ' 34' ' ' ARG . 34.4 m -108.91 120.86 43.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 68.0 t -124.59 128.48 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 62' ' ' PHE . 11.4 p90 -146.54 143.32 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HG3' HG22 ' A' ' 61' ' ' VAL . 27.2 ttm180 -120.18 100.94 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.7 pp -100.95 147.31 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -97.3 137.07 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.506 HG21 HD12 ' A' ' 60' ' ' LEU . 14.5 t -139.07 158.5 44.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.45 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -132.62 145.42 51.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.94 -175.83 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.74 -13.29 61.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.484 ' HA2' ' CD1' ' A' ' 56' ' ' ILE . . . 60.27 128.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -44.07 -42.9 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.2 tpp -101.39 48.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.98 46.82 2.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.38 112.99 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -38.85 115.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.484 ' CD1' ' HA2' ' A' ' 50' ' ' GLY . 59.2 mt -93.98 132.7 28.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 79' ' ' SER . 53.6 Cg_endo -69.81 101.4 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 46' ' ' THR . 22.2 mt -109.02 142.91 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 111' ' ' VAL . 7.8 mt -98.22 109.64 22.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.424 HG22 ' HG3' ' A' ' 43' ' ' ARG . 84.2 t -112.48 101.11 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 107' ' ' VAL . 60.0 m-85 -94.6 125.14 39.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -108.7 113.86 27.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.9 mt -89.16 111.52 45.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.402 ' HG2' ' CB ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.72 -164.32 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.67 -36.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' TYR . 11.8 t-20 -73.26 -35.48 66.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.66 149.94 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.75 2.78 4.67 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.356 -0.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.507 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 58.0 m -75.73 46.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 t -174.76 170.26 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -96.67 124.51 50.24 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 140.81 43.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.04 96.54 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.754 HD12 HD23 ' A' ' 95' ' ' LEU . 33.5 mt -88.58 140.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.447 ' O ' HD13 ' A' ' 77' ' ' ILE . 33.2 m -142.37 139.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.873 HD11 ' CD1' ' A' ' 94' ' ' LEU . 25.7 mm -131.12 125.17 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.58 119.73 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 13.6 t -126.23 155.68 41.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.39 -41.15 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.463 ' HG2' HG23 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -80.8 -35.92 32.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 79' ' ' SER . 22.9 mt -57.68 157.2 7.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -119.48 159.54 24.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -41.69 -32.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.29 -64.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -55.02 -54.23 45.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.8 p -43.39 -27.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 84' ' ' ARG . 74.6 t -85.42 -49.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.418 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 90.2 m -54.01 -39.87 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.502 ' CG1' HG21 ' A' ' 77' ' ' ILE . 60.5 t -66.22 -45.64 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.34 -58.92 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.48 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 25.3 pt-20 -42.98 -43.72 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 57.3 mmtt -60.74 -59.53 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.873 ' CD1' HD11 ' A' ' 77' ' ' ILE . 18.4 mt -39.01 -55.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.754 HD23 HD12 ' A' ' 75' ' ' ILE . 20.8 mt -50.89 -56.71 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.63 -48.74 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.54 -43.97 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -42.32 -51.98 4.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -40.13 -57.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.8 t -57.4 -30.62 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.4 mt -97.04 34.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 104' ' ' GLU . 12.2 mt -69.84 177.05 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' LEU . 58.1 m 36.65 33.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' LEU . 3.4 mp0 -153.25 161.31 29.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 93.19 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.8 ptp -93.57 -42.06 9.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 111' ' ' VAL . 69.4 t -33.79 -39.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.417 ' NE2' HD11 ' A' ' 112' ' ' LEU . 13.0 t-160 -82.53 -70.89 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' HIS . 16.8 mt-10 -37.11 -53.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.434 HD13 ' HE1' ' A' ' 62' ' ' PHE . 72.0 mt -44.48 -53.65 6.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 60' ' ' LEU . 56.0 t -52.41 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.417 HD11 ' NE2' ' A' ' 108' ' ' HIS . 38.2 mt -57.24 -23.64 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.551 ' CH2' HD11 ' A' ' 121' ' ' ILE . 76.5 t90 -77.61 -40.41 42.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 111' ' ' VAL . 7.2 tp -79.2 -20.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 47' ' ' LYS . 3.2 mm100 -78.09 -24.5 47.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -104.85 -45.38 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -89.46 33.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 119' ' ' ARG . 12.6 tp -68.75 -64.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -36.96 -72.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 119' ' ' ARG . 36.8 t60 -35.07 -69.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.551 HD11 ' CH2' ' A' ' 113' ' ' TRP . 94.3 mt -39.6 -45.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 51' ' ' PHE . 4.2 mm? . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.34 -51.88 57.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.7 mt-10 -54.65 -40.87 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' OE1' HD12 ' A' ' 19' ' ' LEU . 1.8 tm-20 -60.13 -37.1 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.25 -53.87 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -49.71 -30.79 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 14' ' ' GLU . 48.9 t -78.37 -52.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 14.3 mt -57.9 -55.47 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.43 -19.0 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.61 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.79 ' CE3' HG21 ' A' ' 44' ' ' ILE . 11.1 t-105 -145.7 114.32 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.591 HG21 ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -113.48 110.7 33.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -44.76 -64.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 m -144.54 167.67 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.591 ' HG3' HG21 ' A' ' 31' ' ' VAL . 11.1 mtp-105 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.7 m -92.14 124.35 36.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.146 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.96 123.32 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -142.75 137.66 29.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.514 ' HG3' HG22 ' A' ' 61' ' ' VAL . 49.3 ttp180 -116.97 114.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.79 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 pp -118.9 147.94 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.421 ' NE2' ' OE1' ' A' ' 59' ' ' GLU . 26.1 m80 -102.19 140.23 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 58' ' ' LEU . 8.1 t -136.91 157.74 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -116.32 150.37 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.81 174.31 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.83 -0.54 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.12 -146.49 36.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.477 ' CD2' ' HD2' ' A' ' 119' ' ' ARG . 9.2 m-85 -120.23 -41.36 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ASP . 8.4 ttm -125.64 78.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' MET . 4.1 m-20 36.86 47.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.35 112.08 7.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 130.82 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 57' ' ' PRO . 67.5 mt -107.75 137.19 19.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.667 0.746 . . . . 0.0 111.126 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 102.98 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 46' ' ' THR . 30.3 tp -106.06 140.61 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 60' ' ' LEU . 9.2 tp10 -122.94 131.38 53.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.72 HD22 ' CZ ' ' A' ' 62' ' ' PHE . 4.4 mt -130.93 117.44 19.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 43' ' ' ARG . 47.7 t -111.11 107.72 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 77.2 m-85 -105.49 150.26 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -132.79 123.55 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.447 HD21 HG21 ' A' ' 107' ' ' VAL . 9.7 mt -102.5 96.7 7.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.47 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.9 m -82.86 -38.06 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' TYR . 10.3 m120 -66.16 -44.47 84.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.553 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -37.36 145.96 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.754 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 3.05 4.51 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.344 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.479 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.6 44.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 t -175.45 155.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 99' ' ' GLU . 82.6 mt -84.35 121.86 75.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.568 0.699 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 145.88 58.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.01 109.71 2.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.9 mt -101.64 137.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -138.58 123.95 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.516 HG22 ' SG ' ' A' ' 87' ' ' CYS . 35.7 mm -112.51 130.2 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -155.51 120.27 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -124.62 157.06 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.76 -15.18 49.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -101.89 -56.79 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.6 mt -53.72 151.09 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.8 p -91.66 158.91 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -43.07 -55.83 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.69 -68.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -41.1 -58.28 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.516 ' SG ' HG22 ' A' ' 77' ' ' ILE . 1.9 t -42.4 -61.32 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.9 t -41.3 -53.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.9 m -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.87 -54.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' GLU . 42.1 tttt -55.46 -62.21 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' LYS . 48.3 mt-10 -35.84 -51.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -57.57 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 91' ' ' LYS . 26.1 mt -40.39 -60.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 4.4 mm? -43.26 -64.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -35.71 -56.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.58 -39.25 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -50.12 -57.04 8.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 102' ' ' LEU . 2.8 mm-40 -41.7 -60.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.0 m -63.08 -21.29 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.5 mt -93.01 27.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 99' ' ' GLU . 2.7 mt -67.28 178.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 43.79 26.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.492 ' CG ' ' HD2' ' A' ' 105' ' ' PRO . 7.1 tt0 -155.09 141.48 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 104' ' ' GLU . 54.1 Cg_endo -69.72 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.7 ptp -71.03 -31.1 67.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.66 HG13 ' CD2' ' A' ' 62' ' ' PHE . 72.0 t -35.44 -49.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -72.85 -52.04 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -49.74 -65.98 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' TRP . 23.3 mt -34.44 -62.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.644 HG12 ' NE2' ' A' ' 115' ' ' GLN . 98.8 t -36.7 -45.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.56 -35.32 58.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.524 ' CH2' HD11 ' A' ' 121' ' ' ILE . 55.8 t90 -61.55 -57.79 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 115' ' ' GLN . 5.6 tp -60.7 -49.35 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.644 ' NE2' HG12 ' A' ' 111' ' ' VAL . 36.0 mt-30 -34.35 -36.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ILE . 8.9 mm100 -101.97 -43.75 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.533 ' O ' HD12 ' A' ' 121' ' ' ILE . 27.5 m-80 -83.74 39.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.6 tt -91.5 -38.71 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.477 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.6 ttt-85 -84.51 -46.1 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -48.58 -44.82 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 117' ' ' ASN . 74.9 mt -65.83 -39.8 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.5 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -130.83 160.18 35.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.8 t -77.47 124.91 28.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.65 -158.99 53.46 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.533 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -135.3 111.74 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.6 p -112.95 113.54 25.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.79 60.88 0.63 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.485 ' SD ' ' N ' ' A' ' 9' ' ' ALA . 3.5 ppp? -41.98 -47.59 4.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.783 0.325 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.856 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -167.34 148.4 5.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.077 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.7 mp0 -71.64 -60.08 2.71 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 110.91 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.1 Cg_endo -69.82 -46.99 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.856 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 21.0 t -56.15 -37.95 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -70.92 -57.74 4.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' HG12 ' A' ' 18' ' ' VAL . 5.1 pt-20 -54.96 -42.03 71.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.877 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.448 ' CD ' ' HB3' ' A' ' 105' ' ' PRO . 35.3 tp10 -62.0 -30.5 70.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.1 mt -78.52 -51.56 9.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.7 t -63.65 -54.08 41.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 14' ' ' GLU . 9.5 p -45.9 -28.59 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.115 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 mt -75.78 -37.29 59.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.41 -12.62 6.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.11 -48.46 9.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mp -54.62 -48.91 70.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -85.2 -48.24 9.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.0 p 43.3 28.36 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 mmp_? -124.71 133.77 25.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HG2' ' CD2' ' A' ' 27' ' ' HIS . 54.2 Cg_endo -69.71 -20.24 35.33 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.387 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CD2' ' HG2' ' A' ' 26' ' ' PRO . 2.9 m170 -94.02 -34.8 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -81.41 -35.32 30.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.642 ' CE3' HG21 ' A' ' 44' ' ' ILE . 66.4 t-105 -109.01 110.39 21.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -138.18 129.57 27.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -114.85 106.02 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.16 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.6 mt -48.03 -66.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -147.39 129.1 15.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.584 ' CB ' HG23 ' A' ' 40' ' ' THR . 1.5 ppt_? -127.04 131.62 50.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.436 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 1.3 m -121.96 167.03 13.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -69.11 -65.55 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.501 ' O ' HG12 ' A' ' 66' ' ' VAL . 8.8 t -108.63 -35.96 6.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 13.9 m-20 -50.18 -19.69 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.25 179.57 15.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 34' ' ' ARG . 15.0 m -144.79 115.16 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 111.149 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.1 t -119.15 128.7 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' HZ ' HG11 ' A' ' 107' ' ' VAL . 25.5 p90 -145.96 144.9 30.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.508 ' CG ' HG22 ' A' ' 61' ' ' VAL . 1.5 tmt_? -121.72 113.6 19.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.642 HG21 ' CE3' ' A' ' 29' ' ' TRP . 1.4 pp -115.64 137.02 50.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -91.13 134.74 34.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.503 HG21 HD12 ' A' ' 60' ' ' LEU . 9.0 t -130.67 158.07 41.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -135.42 133.57 38.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HB2' HE21 ' A' ' 115' ' ' GLN . . . -98.29 -175.64 3.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -84.41 22.54 1.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 40.43 -155.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.414 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -105.97 -25.64 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.905 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -130.12 72.32 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 44.38 27.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.5 157.59 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.57 121.43 43.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.2 mm -101.85 129.25 26.94 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.593 0.711 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 117.04 4.85 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 19.1 mt -117.26 144.7 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -115.76 107.13 14.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.582 HD22 ' CZ ' ' A' ' 62' ' ' PHE . 4.0 mt -113.58 107.36 15.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.508 HG22 ' CG ' ' A' ' 43' ' ' ARG . 55.8 t -106.78 101.85 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.934 ' CD2' HG13 ' A' ' 107' ' ' VAL . 60.7 m-85 -95.89 132.59 41.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -120.75 130.42 54.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.786 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 3.0 mt -106.0 96.55 13.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.3 Cg_endo -69.8 -176.17 1.41 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 37' ' ' THR . 9.3 m -80.01 -24.86 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 70' ' ' SER . 3.9 m120 -81.23 -36.43 30.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.559 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -44.5 146.94 1.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.929 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.3 Cg_endo -69.8 -14.33 12.55 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.304 -0.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 4.7 t -35.1 -44.45 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.9 t -105.39 155.66 18.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.1 mt -76.54 141.11 68.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 147.34 62.2 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.316 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -81.49 100.85 2.08 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.484 HG12 ' CE1' ' A' ' 62' ' ' PHE . 30.1 mt -97.1 141.85 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.129 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.2 t -137.66 109.25 7.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.7 mm -94.22 131.91 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.144 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -154.87 119.96 4.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.3 t -126.05 134.0 51.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.812 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.31 -20.55 65.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -90.49 -60.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.08 164.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.5 p -88.23 -177.72 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -70.19 -29.75 66.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -77.69 -48.66 16.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 74.8 mm-40 -52.83 -53.77 43.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 15.7 p -52.04 -42.21 62.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.76 -37.73 80.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.0 m -65.67 -45.62 82.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -54.69 -48.34 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HG2' HD23 ' A' ' 95' ' ' LEU . 9.1 tttm -59.46 -59.36 5.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' LYS . 11.0 mm-40 -35.3 -46.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 121' ' ' ILE . 46.3 mmtm -64.41 -57.58 8.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.5 mp -45.25 -52.9 9.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.458 HD23 ' HG2' ' A' ' 91' ' ' LYS . 3.3 mm? -55.88 -54.61 42.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -49.96 -44.53 50.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -66.6 -46.45 75.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -44.28 -46.05 8.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.052 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -43.3 -57.76 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 m -62.66 -24.15 67.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.6 27.27 3.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 mt -65.51 167.82 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.47 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 21.9 t 45.79 26.9 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -151.99 157.04 34.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.718 0.771 . . . . 0.0 110.828 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.448 ' HB3' ' CD ' ' A' ' 15' ' ' GLU . 54.0 Cg_endo -69.76 96.85 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.705 ' O ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -98.46 1.77 47.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.934 HG13 ' CD2' ' A' ' 62' ' ' PHE . 45.9 t -77.01 -30.39 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.42 ' O ' HD12 ' A' ' 112' ' ' LEU . 21.7 t-160 -86.93 -44.1 11.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -66.11 -62.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.705 HD12 ' O ' ' A' ' 106' ' ' MET . 48.7 mt -34.6 -38.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 107' ' ' VAL . 38.9 t -65.38 -67.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.534 ' H ' HD12 ' A' ' 112' ' ' LEU . 5.8 mp -56.38 -13.08 1.97 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.427 ' CH2' HD11 ' A' ' 121' ' ' ILE . 78.3 t90 -81.99 -53.99 5.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.444 ' CD1' HD12 ' A' ' 121' ' ' ILE . 6.2 tp -69.03 -31.19 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 48' ' ' ALA . 1.3 mp0 -59.9 -26.69 66.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -104.27 -47.56 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -84.7 35.84 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.82 -63.27 1.29 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -58.89 -24.39 62.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -71.45 -55.17 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.535 HG23 ' HG3' ' A' ' 93' ' ' LYS . 52.3 mt -59.22 -43.75 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.401 ' CD1' ' CZ ' ' A' ' 51' ' ' PHE . 41.3 mt -58.63 -29.98 66.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.6 t -86.13 62.22 7.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -128.87 80.88 71.94 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.616 0.722 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 112.56 3.12 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.657 2.238 . . . . 0.0 112.329 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.76 154.5 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 29.5 m -88.1 98.39 11.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.186 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -112.88 169.94 8.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 110.856 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 p -44.42 121.51 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.808 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.23 -170.27 13.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -115.19 164.34 14.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.936 0.398 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -86.65 -47.16 9.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.9 74.94 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.466 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt -86.2 158.3 19.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.802 0.334 . . . . 0.0 110.834 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' CB ' ' HB ' ' A' ' 12' ' ' VAL . . . -48.2 147.09 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.571 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 3.5 mp0 -80.42 -66.6 0.25 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 54.3 Cg_endo -69.67 -51.17 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' HB ' ' CB ' ' A' ' 9' ' ' ALA . 76.4 t -52.9 -42.52 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 -65.35 -51.94 57.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.777 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.3 mm-40 -50.7 -49.35 57.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE1' ' C ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -52.66 -42.98 65.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.718 HD11 HG21 ' A' ' 40' ' ' THR . 82.8 mt -69.32 -60.28 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.503 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 17.8 m -50.61 -57.78 7.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 14' ' ' GLU . 76.6 t -38.66 -56.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.133 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.5 mt -54.69 -36.11 64.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -56.97 -13.58 2.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.15 -48.51 7.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 mp -54.98 -46.59 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' CYS . 83.7 m-85 -85.22 -42.52 14.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.455 ' C ' ' O ' ' A' ' 23' ' ' PHE . 28.9 p 34.11 39.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -136.54 137.95 25.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -10.79 29.38 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -105.45 -21.84 13.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -103.25 11.61 36.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.546 ' CE3' HG21 ' A' ' 44' ' ' ILE . 70.1 t-105 -151.01 118.81 6.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.95 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -143.71 114.41 7.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -94.17 110.39 23.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.868 HD12 HG12 ' A' ' 41' ' ' VAL . 38.0 mt -63.69 -58.43 6.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 p -153.45 158.66 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -142.42 115.26 8.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 6.4 m -113.42 162.04 16.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.4 -60.65 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 38' ' ' ASP . 4.2 t -126.39 -35.36 2.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' THR . 9.4 m-20 -34.49 -35.78 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 37' ' ' THR . . . 131.46 147.82 6.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.718 HG21 HD11 ' A' ' 16' ' ' LEU . 22.5 m -98.78 136.0 39.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 111.178 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.868 HG12 HD12 ' A' ' 32' ' ' LEU . 57.4 t -130.52 115.34 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -140.45 145.94 37.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.855 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.554 ' HG3' HG22 ' A' ' 61' ' ' VAL . 17.4 ttm180 -130.86 109.88 10.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.77 ' C ' HD12 ' A' ' 44' ' ' ILE . 1.1 pp -113.91 145.18 20.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -92.98 142.04 27.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.864 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -136.45 151.17 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -118.11 127.82 54.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.82 172.9 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.03 -9.79 11.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.66 176.58 6.33 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 119' ' ' ARG . 38.4 m-85 -90.02 -48.23 7.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 19.4 ptm -95.79 35.21 1.41 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 59.51 51.41 6.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -147.88 122.03 9.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -45.52 117.0 1.29 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.528 HG23 ' HD2' ' A' ' 57' ' ' PRO . 46.6 mm -99.11 135.66 20.75 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.607 0.718 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.528 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.76 106.58 1.69 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.827 HD11 HD11 ' A' ' 118' ' ' LEU . 15.2 mt -116.11 137.27 52.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -115.95 116.43 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.7 mt -115.44 124.14 50.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.554 HG22 ' HG3' ' A' ' 43' ' ' ARG . 86.6 t -117.72 108.09 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.47 ' CD2' HG13 ' A' ' 107' ' ' VAL . 43.2 m-85 -101.84 128.44 48.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -122.26 133.58 54.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.555 HD12 ' HB ' ' A' ' 40' ' ' THR . 5.3 mt -106.65 103.06 44.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.617 0.722 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.82 -176.06 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.244 . . . . 0.0 112.308 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.0 14.53 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.16 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 70' ' ' SER . 5.2 m120 -122.21 -30.63 3.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.644 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -49.92 150.03 4.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.72 0.771 . . . . 0.0 110.912 -179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.55 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.5 Cg_endo -69.72 -16.02 12.26 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.392 -0.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.1 t -35.53 -46.36 0.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.1 t -99.64 167.67 10.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.12 142.76 41.61 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.673 0.749 . . . . 0.0 110.886 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 147.66 63.39 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.5 73.41 0.33 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.444 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.9 mt -72.98 131.7 34.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.848 0.356 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.7 t -139.21 113.88 9.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.0 mm -99.93 123.97 53.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.403 ' OD1' ' N ' ' A' ' 78' ' ' ASN . 0.5 OUTLIER -154.95 120.1 4.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.3 t -125.88 155.61 40.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -69.39 -23.98 63.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -94.01 -55.71 3.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 40.2 mt -43.3 156.65 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 76.5 p -100.37 -177.94 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.569 ' O ' HG23 ' A' ' 88' ' ' VAL . 28.2 ttt85 -66.51 -32.05 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -80.13 -51.52 8.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.097 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.18 -49.6 75.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.8 p -54.19 -34.16 59.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.5 t -72.31 -46.51 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 85.1 m -57.93 -60.86 3.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -37.78 -61.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.6 tttt -48.1 -60.58 2.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -39.18 -38.27 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.81 -59.66 3.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mp -44.66 -38.92 4.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 98' ' ' ALA . 4.4 mm? -59.76 -62.87 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 95' ' ' LEU . 5.6 tm-20 -37.53 -49.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' NE2' ' CZ2' ' A' ' 113' ' ' TRP . 0.8 OUTLIER -70.14 -34.26 72.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.95 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 95' ' ' LEU . . . -51.18 -62.55 1.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 98' ' ' ALA . 12.4 mt-10 -36.4 -63.46 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.6 t -53.45 -37.31 62.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 98' ' ' ALA . 21.2 mt -86.77 30.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 9.3 mt -74.05 162.4 29.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 23.6 m 54.38 41.8 31.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 8.3 pt-20 -168.63 152.01 5.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.647 0.737 . . . . 0.0 110.921 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 81.23 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.648 2.232 . . . . 0.0 112.317 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.5 ptp -82.2 -24.36 34.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 111' ' ' VAL . 87.0 t -37.08 -53.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -66.81 -54.4 22.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -48.71 -64.52 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.7 mt -40.32 -51.79 2.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 107' ' ' VAL . 90.9 t -50.8 -49.76 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.6 mt -72.14 -16.6 61.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.405 ' CZ2' ' NE2' ' A' ' 97' ' ' GLN . 82.2 t90 -77.4 -66.71 0.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 121' ' ' ILE . 7.7 tp -52.64 -42.29 40.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 114' ' ' ILE . 24.8 mm-40 -51.69 -23.68 4.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -103.16 -44.47 5.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -95.63 35.33 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.827 HD11 HD11 ' A' ' 58' ' ' LEU . 2.5 tt -72.88 -42.46 63.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.551 ' HA ' ' CE2' ' A' ' 51' ' ' PHE . 15.4 ttp180 -80.33 -40.42 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -51.64 -37.66 51.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.455 HD12 ' CD1' ' A' ' 114' ' ' ILE . 66.3 mt -65.8 -45.74 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.4 mp -83.69 35.77 0.52 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -49.37 -50.11 41.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -142.95 142.74 22.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.578 0.704 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -175.61 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.322 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -114.68 92.85 4.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.9 m -107.85 121.3 44.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.169 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -101.27 167.62 10.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -121.81 84.38 2.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.91 -72.72 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.512 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 m -110.95 150.03 29.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.902 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -93.18 154.66 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.72 -139.93 3.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.5 mtm -104.99 -64.99 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.821 0.343 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.937 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -144.76 154.21 42.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 12.1 mm-40 -70.6 -60.05 3.41 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.7 Cg_endo -69.78 -10.62 29.0 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.937 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 54.5 t -92.04 -49.68 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 10.0 pt20 -58.7 -40.99 85.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 18' ' ' VAL . 33.9 mt-10 -63.02 -47.52 82.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -52.09 -51.31 58.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.3 -60.2 4.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -43.55 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.842 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 14' ' ' GLU . 90.2 t -39.62 -50.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.603 HD11 HG11 ' A' ' 107' ' ' VAL . 66.6 mt -56.56 -54.91 40.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -40.87 -35.12 0.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.09 91.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.662 HD13 ' CD2' ' A' ' 108' ' ' HIS . 19.2 mt -74.37 -47.47 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.468 ' O ' ' N ' ' A' ' 25' ' ' ARG . 47.1 m-85 -81.31 -0.06 39.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' ALA . 29.1 p -34.77 -33.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 23' ' ' PHE . 76.1 mtt-85 -34.41 150.23 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.612 0.72 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 133.38 25.39 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.66 2.24 . . . . 0.0 112.329 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.6 m-70 60.08 26.81 16.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -110.83 -38.41 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.9 t-105 -94.03 117.93 30.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -139.63 131.3 27.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 34' ' ' ARG . 53.3 t -121.35 105.16 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD12 HG12 ' A' ' 41' ' ' VAL . 43.6 mt -42.66 -67.22 0.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 m -151.64 159.39 44.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.471 ' HG2' HG23 ' A' ' 40' ' ' THR . 29.9 mtp180 -131.62 110.28 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.9 t -121.77 153.44 38.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -88.92 -58.49 2.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.2 t -70.53 -38.82 74.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.78 -30.49 35.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.74 -175.36 16.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.471 HG23 ' HG2' ' A' ' 34' ' ' ARG . 76.5 m -110.92 125.78 54.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 111.157 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.551 HG12 HD12 ' A' ' 32' ' ' LEU . 58.1 t -124.91 127.83 72.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.411 ' HB3' HG13 ' A' ' 31' ' ' VAL . 54.2 p90 -149.67 162.32 40.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.81 ' HG3' HG22 ' A' ' 61' ' ' VAL . 24.0 ttp85 -145.71 133.91 21.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.849 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.614 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.9 pp -125.25 149.73 30.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -87.24 124.91 33.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.782 HG21 HD12 ' A' ' 60' ' ' LEU . 12.2 t -126.2 152.31 46.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -136.01 136.11 40.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -105.95 172.1 6.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -65.84 -5.01 7.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.34 -150.29 47.16 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 1.3 m-30 -111.23 -37.99 5.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.804 0.335 . . . . 0.0 110.841 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 53' ' ' ASP . 10.3 tpt -119.99 74.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' MET . 57.5 m-20 35.94 45.66 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -134.25 143.46 47.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.11 114.82 22.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.63 HG23 ' HD2' ' A' ' 57' ' ' PRO . 17.5 mm -88.66 138.17 29.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.624 0.726 . . . . 0.0 111.094 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.63 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.77 90.55 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.342 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mp -99.09 144.15 28.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -124.5 117.8 25.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.782 HD12 HG21 ' A' ' 46' ' ' THR . 7.5 mt -117.3 106.81 13.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.81 HG22 ' HG3' ' A' ' 43' ' ' ARG . 21.4 t -104.54 103.02 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.077 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -94.41 132.59 38.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -120.58 124.63 45.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD22 ' CE2' ' A' ' 68' ' ' TYR . 31.8 mt -106.13 96.54 13.42 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.574 0.702 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.7 Cg_endo -69.74 -173.24 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.2 m -79.01 -27.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -76.75 -42.77 39.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.643 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -38.55 150.03 0.21 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.674 0.75 . . . . 0.0 110.905 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.63 10.6 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.342 -0.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.3 m -38.78 -47.33 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 38.7 t -101.32 147.54 26.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' HG ' ' HB1' ' A' ' 98' ' ' ALA . 7.2 mp -65.86 142.86 98.29 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.62 0.724 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 134.06 27.15 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.692 2.261 . . . . 0.0 112.348 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.1 88.49 0.12 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.5 mt -86.17 140.47 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.0 t -134.42 130.85 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.802 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.8 mm -122.11 107.82 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.152 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -141.85 119.99 12.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 t -126.02 133.29 51.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -54.65 -16.54 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -95.65 -68.98 0.77 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.7 mt -40.54 155.58 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 68.5 p -89.77 -178.98 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.71 -49.66 69.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.77 -48.0 83.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 88' ' ' VAL . 22.5 mm-40 -59.02 -66.52 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.7 p -39.7 -26.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 86' ' ' GLN . 18.7 t -84.38 -50.1 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.5 m -55.8 -27.49 51.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 94' ' ' LEU . 33.5 t -74.53 -53.52 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.7 tttt -61.2 -53.62 54.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 93' ' ' LYS . 8.7 pt-20 -42.61 -35.91 1.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 0.7 OUTLIER -70.42 -58.36 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.0 mm? -43.39 -41.66 4.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.94 -41.0 97.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -57.53 -35.57 70.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -80.11 -31.36 39.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -51.48 -58.75 5.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -39.97 -66.29 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.3 t -51.24 -27.89 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.808 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.3 mt -93.93 33.38 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.7 mt -79.21 156.93 27.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.9 m 59.17 33.58 22.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -165.76 153.51 9.68 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.718 0.771 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.77 2.63 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.68 2.254 . . . . 0.0 112.363 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 108' ' ' HIS . 0.8 OUTLIER -113.28 -31.42 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.603 HG11 HD11 ' A' ' 19' ' ' LEU . 79.0 t -34.36 -33.11 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.662 ' CD2' HD13 ' A' ' 22' ' ' ILE . 14.5 t-80 -83.86 -59.67 2.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -49.15 -50.79 35.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 16.7 mt -47.6 -49.95 25.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.82 -53.45 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.627 HD11 ' NE2' ' A' ' 108' ' ' HIS . 23.1 mt -69.8 -15.47 63.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.425 ' CZ3' HD11 ' A' ' 121' ' ' ILE . 85.2 t90 -76.44 -63.3 1.37 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.48 HD11 HD22 ' A' ' 118' ' ' LEU . 4.2 tp -53.42 -40.97 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.161 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.426 ' CD ' HG23 ' A' ' 114' ' ' ILE . 0.5 OUTLIER -64.29 -12.26 39.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -104.2 -45.06 4.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -95.44 17.25 14.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.48 HD22 HD11 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -49.97 -65.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -61.22 -45.8 93.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -44.76 -50.53 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.425 HD11 ' CZ3' ' A' ' 113' ' ' TRP . 51.6 mt -57.0 -61.81 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.408 HD12 HG22 ' A' ' 121' ' ' ILE . 10.3 mp -77.82 46.37 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 18.0 m -99.16 -46.08 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.7 mm-40 -100.95 123.53 44.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.593 0.711 . . . . 0.0 110.875 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 3.32 2.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.343 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.4 153.26 19.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.43 150.07 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t 63.25 41.8 7.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.4 t -109.18 147.25 32.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.61 104.75 1.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.513 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -76.41 -55.91 5.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.836 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.9 m -64.29 113.67 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.21 92.67 2.28 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.6 ttp -109.3 -52.99 2.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.339 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.737 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -158.05 160.69 37.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.496 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 9.1 mt-10 -67.31 -60.12 6.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.831 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.2 Cg_endo -69.75 -46.05 1.37 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.37 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.737 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 49.0 t -56.19 -53.24 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -55.03 -44.94 75.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' GLU . 5.6 mm-40 -51.97 -64.73 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 14' ' ' GLU . 5.4 tp10 -37.61 -58.17 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.8 mt -53.01 -58.11 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 t -52.24 -63.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -44.46 -44.76 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD22 ' CE2' ' A' ' 23' ' ' PHE . 31.0 mt -62.89 -64.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -38.02 -41.47 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -51.71 66.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.4 mt -69.1 -38.03 77.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.53 ' CE2' HD22 ' A' ' 19' ' ' LEU . 32.0 m-85 -84.33 -0.89 54.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 20' ' ' ALA . 27.8 p -35.96 -30.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' PHE . 13.4 mmp_? -40.13 153.23 0.21 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.607 0.718 . . . . 0.0 110.845 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 125.07 11.71 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.5 m170 61.04 40.95 14.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -125.51 -9.02 6.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CE3' HG21 ' A' ' 44' ' ' ILE . 48.9 t-105 -129.89 126.95 39.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.517 ' OE2' HD23 ' A' ' 32' ' ' LEU . 9.6 tm-20 -144.78 140.86 28.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 32' ' ' LEU . 90.4 t -124.98 97.19 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.064 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD12 HG12 ' A' ' 41' ' ' VAL . 31.8 mt -35.76 -70.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.9 m -154.18 172.73 17.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -142.33 145.06 33.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.5 m -119.83 147.5 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' O ' ' CG2' ' A' ' 37' ' ' THR . 5.7 pt-20 -56.2 91.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 36' ' ' GLU . 9.9 t 43.73 43.24 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.46 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 0.5 OUTLIER -119.95 -34.6 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.54 114.35 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.9 m -90.17 123.38 33.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.643 HG12 HD12 ' A' ' 32' ' ' LEU . 96.2 t -114.65 111.44 35.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 48.2 p90 -130.56 148.33 52.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.579 ' HG3' HG22 ' A' ' 61' ' ' VAL . 10.9 ttp180 -132.45 102.12 5.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.855 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.1 pp -103.09 151.07 6.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -92.73 136.14 33.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.827 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.7 HG21 HD12 ' A' ' 60' ' ' LEU . 14.3 t -141.48 148.98 40.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -117.33 132.21 56.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.5 161.94 13.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.062 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.08 -11.4 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.496 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 72.59 -154.11 49.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.503 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.74 -37.26 5.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.888 0.375 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.422 ' O ' ' C ' ' A' ' 53' ' ' ASP . 24.5 ttp -124.56 74.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 52' ' ' MET . 9.0 t0 36.32 45.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.26 112.53 8.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.23 145.71 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.643 HG23 ' HD2' ' A' ' 57' ' ' PRO . 82.5 mt -128.13 138.43 32.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.618 0.723 . . . . 0.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.643 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.78 94.72 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.377 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 40.8 tp -103.65 143.33 32.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -118.63 117.19 28.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.7 HD12 HG21 ' A' ' 46' ' ' THR . 8.1 mt -109.23 129.81 55.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.579 HG22 ' HG3' ' A' ' 43' ' ' ARG . 75.8 t -123.64 102.36 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.096 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 64.8 m-85 -103.3 129.77 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -117.78 123.3 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.812 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 HG21 ' A' ' 107' ' ' VAL . 34.0 mt -103.23 96.54 8.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.893 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.5 Cg_endo -69.8 -164.11 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.349 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 38' ' ' ASP . 20.3 m -91.14 -10.47 9.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.153 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.506 ' O ' ' N ' ' A' ' 71' ' ' CYS . 7.7 m120 -110.45 42.72 1.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.644 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -136.27 149.03 66.71 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.7 0.762 . . . . 0.0 110.905 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.2 Cg_endo -69.77 1.14 5.46 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.3 -0.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.479 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 23.1 t -32.93 -36.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.849 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 67' ' ' ASN . 84.6 m -138.63 -177.93 5.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.3 mt -73.13 122.81 88.6 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.587 0.708 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -175.27 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -95.73 113.18 4.57 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.7 mt -114.07 136.48 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 111.145 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 m -140.88 138.25 33.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.7 mm -127.8 119.88 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.77 120.09 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.8 t -125.85 140.86 52.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.826 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.67 -28.73 6.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -87.87 -56.64 3.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.634 HD21 HD11 ' A' ' 122' ' ' LEU . 61.0 mt -47.33 149.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.0 p -92.8 164.66 13.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.645 ' O ' HG23 ' A' ' 88' ' ' VAL . 3.4 tpm_? -55.81 -34.98 65.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.88 -43.77 43.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 89' ' ' THR . 45.7 mt-30 -68.79 -61.9 1.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.2 p -38.46 -35.11 0.16 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 84' ' ' ARG . 90.9 t -75.03 -42.0 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 86' ' ' GLN . 95.9 m -53.75 -53.18 55.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' O ' HD23 ' A' ' 94' ' ' LEU . 57.3 t -52.31 -56.55 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 92' ' ' GLU . 30.0 tttt -50.73 -62.39 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 91' ' ' LYS . 22.5 mm-40 -36.47 -42.82 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -64.29 -53.28 51.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.5 mm? -45.47 -49.46 13.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -46.08 -48.29 17.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -52.96 -52.44 58.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -58.96 -46.66 87.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -40.05 -64.79 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' ALA . 14.4 mt-10 -36.36 -68.99 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.5 t -46.99 -30.59 2.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.833 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 98' ' ' ALA . 16.9 mt -95.5 35.11 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.6 158.24 35.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.4 m 53.15 46.37 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -173.53 155.26 2.6 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 98.14 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 0.0 112.34 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.429 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.3 ptp -98.58 -35.28 10.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.756 ' O ' HG23 ' A' ' 111' ' ' VAL . 82.4 t -34.99 -46.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -73.24 -65.14 0.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -39.32 -57.26 1.41 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.523 ' O ' HG22 ' A' ' 114' ' ' ILE . 11.2 mt -46.23 -48.08 17.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 107' ' ' VAL . 97.9 t -51.55 -35.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 mt -82.99 -42.15 17.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.657 ' CH2' HD11 ' A' ' 121' ' ' ILE . 65.3 t90 -58.55 -40.39 82.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.524 HD11 HD22 ' A' ' 118' ' ' LEU . 8.0 tp -73.81 -42.52 54.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.441 ' N ' HG23 ' A' ' 114' ' ' ILE . 51.8 mt-30 -49.74 -29.82 8.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -102.85 -44.88 5.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -86.19 36.64 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.524 HD22 HD11 ' A' ' 114' ' ' ILE . 0.6 OUTLIER -79.21 -58.02 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 27.1 ttt-85 -65.8 -37.05 85.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -54.24 -43.73 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.657 HD11 ' CH2' ' A' ' 113' ' ' TRP . 88.1 mt -70.17 -45.06 77.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.634 HD11 HD21 ' A' ' 82' ' ' LEU . 13.1 mt -82.26 39.92 0.61 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.8 p -79.38 -37.96 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -123.97 82.38 55.97 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 3.13 2.95 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.334 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -135.29 158.71 43.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.527 ' O ' HG22 ' A' ' 127' ' ' THR . 16.8 m 56.92 40.93 28.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.145 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -96.84 112.99 24.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.4 m -108.14 103.29 12.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.07 -104.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m 56.64 51.53 10.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 p -52.79 -17.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.06 99.09 0.17 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.662 ' CE ' HG11 ' A' ' 12' ' ' VAL . 2.2 ttp -108.07 -57.03 2.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.975 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -150.17 142.58 24.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.498 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.4 mm-40 -61.58 -59.64 12.82 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.62 0.724 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.74 -50.58 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.705 2.27 . . . . 0.0 112.356 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.975 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 77.1 t -48.7 -56.18 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -58.08 -58.83 6.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.545 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.2 mt-10 -47.32 -40.48 17.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -58.12 -47.81 82.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.9 -48.3 71.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.9 p -56.16 -44.76 79.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 14' ' ' GLU . 90.2 t -71.47 -46.2 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD22 ' HE2' ' A' ' 23' ' ' PHE . 13.7 mt -49.32 -55.65 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -44.9 -39.16 5.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.078 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -55.61 -53.99 49.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.911 HD13 ' NE2' ' A' ' 108' ' ' HIS . 19.3 mt -61.41 -39.69 83.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.138 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.737 ' CE1' HD13 ' A' ' 44' ' ' ILE . 78.7 m-85 -87.48 0.05 56.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' ALA . 35.2 t -34.46 -33.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' PHE . 3.4 mpt_? -37.78 154.98 0.11 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.539 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 53.9 Cg_endo -69.76 138.64 38.3 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.242 . . . . 0.0 112.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 26' ' ' PRO . 15.6 p80 45.9 39.26 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -128.63 13.14 6.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.754 ' CE3' HG21 ' A' ' 44' ' ' ILE . 68.2 t-105 -141.23 122.36 14.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.949 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.657 ' H ' HG22 ' A' ' 44' ' ' ILE . 8.2 tt0 -143.18 130.65 21.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' LEU . 75.8 t -120.77 98.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.797 HD12 HG12 ' A' ' 41' ' ' VAL . 44.2 mt -38.03 -65.52 0.33 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -161.13 170.62 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HD3' HG23 ' A' ' 40' ' ' THR . 5.3 mmt85 -133.92 109.98 9.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.408 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 6.3 m -99.49 164.96 11.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -105.34 -44.95 4.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.4 t -90.32 -36.05 14.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 8.5 m-20 -75.44 -49.31 19.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.07 -159.37 25.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.525 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.453 HG23 ' HD3' ' A' ' 34' ' ' ARG . 94.6 m -110.85 125.11 53.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.838 0.351 . . . . 0.0 111.133 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.797 HG12 HD12 ' A' ' 32' ' ' LEU . 66.2 t -123.97 134.63 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 29.3 p90 -163.18 160.18 23.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.89 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' HD2' ' CD ' ' A' ' 59' ' ' GLU . 52.3 ttp180 -146.99 107.22 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.754 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -104.42 148.51 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -85.84 121.8 29.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 1.083 HG21 HD12 ' A' ' 60' ' ' LEU . 13.2 t -128.21 155.62 44.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -124.1 142.95 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.501 ' CB ' HD22 ' A' ' 118' ' ' LEU . . . -105.38 -176.5 3.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -73.01 -7.41 51.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.74 176.58 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.586 ' HZ ' HD13 ' A' ' 122' ' ' LEU . 8.7 m-85 -86.37 -49.98 7.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.803 0.335 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.453 ' O ' ' N ' ' A' ' 54' ' ' ALA . 29.2 mmm -85.96 51.95 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.6 m-20 35.27 34.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.853 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' MET . . . -126.17 122.72 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -38.95 120.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 15.2 mm -106.42 131.01 22.07 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 110.58 2.59 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.693 2.262 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 tp -116.19 144.64 43.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.431 ' CD ' ' HD2' ' A' ' 43' ' ' ARG . 42.8 tt0 -114.12 109.88 19.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.083 HD12 HG21 ' A' ' 46' ' ' THR . 4.3 mt -103.72 131.6 50.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.3 t -127.68 102.84 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.615 ' CE2' HD22 ' A' ' 60' ' ' LEU . 67.6 m-85 -101.83 156.03 17.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -146.06 117.51 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD22 ' CE2' ' A' ' 68' ' ' TYR . 11.0 mt -102.6 96.43 7.47 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.601 0.715 . . . . 0.0 110.951 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.77 -172.89 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.686 2.258 . . . . 0.0 112.339 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.9 m -74.51 -37.47 44.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -66.55 -44.68 81.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.649 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -39.84 149.95 0.27 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.701 0.762 . . . . 0.0 110.936 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.8 -20.32 10.85 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.301 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 69' ' ' PRO . 20.1 p -34.0 -45.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 39.3 t -100.82 147.85 25.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.535 HD21 ' OE1' ' A' ' 99' ' ' GLU . 3.6 mm? -68.16 128.42 93.23 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 151.47 69.11 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.304 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.85 108.31 2.44 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mt -111.22 134.36 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.1 t -134.12 132.14 39.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.429 HD11 HD22 ' A' ' 94' ' ' LEU . 14.4 mm -122.16 115.04 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -153.74 119.98 5.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.524 ' HB3' HD12 ' A' ' 82' ' ' LEU . 11.0 t -125.91 124.56 41.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -39.88 -27.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 79' ' ' SER . 5.6 mm100 -89.57 -49.73 6.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 79' ' ' SER . 27.1 mt -44.64 167.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.768 HG21 HG22 ' A' ' 127' ' ' THR . 64.0 p -104.13 155.18 18.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -52.18 -32.26 35.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -81.0 -46.08 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 87' ' ' CYS . 52.4 mt-30 -64.44 -58.38 6.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 86' ' ' GLN . 30.7 p -37.85 -39.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 71.1 t -76.13 -54.16 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.7 m -42.32 -44.84 4.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.3 -63.44 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -45.95 -54.14 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -46.07 -43.12 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.412 ' HG3' HG21 ' A' ' 121' ' ' ILE . 61.3 mmtt -64.45 -54.98 24.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.945 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.429 HD22 HD11 ' A' ' 77' ' ' ILE . 7.8 mp -44.23 -44.28 7.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -57.78 -54.11 50.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -51.59 -51.38 55.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 98' ' ' ALA . 13.8 mm100 -60.66 -47.81 84.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.945 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -37.97 -52.9 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.086 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.535 ' OE1' HD21 ' A' ' 72' ' ' LEU . 7.2 mm-40 -43.05 -64.88 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 t -48.38 -32.1 7.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.5 mt -98.62 36.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.488 HD11 ' OE1' ' A' ' 99' ' ' GLU . 5.5 mt -68.95 178.37 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 16.8 t 34.38 41.93 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -165.31 160.46 14.26 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.647 0.737 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 90.14 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.365 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.579 ' O ' HD12 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -91.84 -22.96 19.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.624 ' O ' HG23 ' A' ' 111' ' ' VAL . 88.3 t -48.23 -57.6 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.911 ' NE2' HD13 ' A' ' 22' ' ' ILE . 16.2 t-80 -67.15 -62.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 108' ' ' HIS . 60.7 mm-40 -36.88 -53.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.579 HD12 ' O ' ' A' ' 106' ' ' MET . 9.0 mt -53.63 -51.81 61.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 107' ' ' VAL . 73.8 t -45.11 -46.02 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.103 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD13 ' OE1' ' A' ' 115' ' ' GLN . 3.3 mm? -76.99 -36.73 56.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.46 ' CH2' HD11 ' A' ' 121' ' ' ILE . 44.5 t90 -57.67 -53.75 54.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.582 HG23 ' N ' ' A' ' 115' ' ' GLN . 9.8 tp -64.98 -48.25 84.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.149 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.582 ' N ' HG23 ' A' ' 114' ' ' ILE . 43.5 mt-30 -37.25 -43.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.945 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -93.85 -50.17 5.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -83.21 39.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.51 ' O ' HD12 ' A' ' 122' ' ' LEU . 18.5 tp -85.77 -38.25 18.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.0 ttp85 -85.08 -40.2 17.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -53.77 -42.31 68.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.46 HD11 ' CH2' ' A' ' 113' ' ' TRP . 74.7 mt -67.66 -63.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.586 HD13 ' HZ ' ' A' ' 51' ' ' PHE . 6.0 mt -49.44 -56.7 8.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.1 m 55.0 42.03 31.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -158.3 143.54 12.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 174.24 9.8 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.716 2.277 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.91 108.34 14.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.768 HG22 HG21 ' A' ' 83' ' ' THR . 8.9 t -70.05 -41.39 74.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.152 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 127' ' ' THR . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.474 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' GLY . 12.7 t -37.74 -61.59 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.9 t -128.49 165.06 21.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.05 -148.7 20.1 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 t -51.55 -56.51 13.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.861 0.363 . . . . 0.0 110.88 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 p -148.81 115.45 5.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.93 -171.37 38.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.9 mtp -104.34 154.1 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.995 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -42.68 145.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.513 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.5 mt-10 -52.92 -59.44 8.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.702 0.763 . . . . 0.0 110.966 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.0 Cg_endo -69.81 -44.25 2.15 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.703 2.268 . . . . 0.0 112.344 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.995 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 39.5 t -55.5 -49.68 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -59.73 -45.63 91.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -61.95 -51.08 69.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -47.11 -43.43 20.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 40' ' ' THR . 95.3 mt -65.84 -49.49 67.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 3.5 m -60.62 -61.84 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.2 t -44.79 -59.57 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.641 HD22 ' HE2' ' A' ' 23' ' ' PHE . 54.5 mt -49.39 -34.98 17.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -52.48 -35.34 52.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.11 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -54.44 21.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mt -60.66 -45.48 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.641 ' HE2' HD22 ' A' ' 19' ' ' LEU . 46.2 m-85 -85.74 -1.59 57.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' ARG . 47.1 t -41.42 -34.45 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' CYS . 33.2 mmm-85 -36.86 152.23 0.11 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.643 0.735 . . . . 0.0 110.856 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.452 ' O ' ' CD ' ' A' ' 28' ' ' GLU . 53.4 Cg_endo -69.8 132.37 23.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.234 . . . . 0.0 112.358 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' C ' ' OE1' ' A' ' 28' ' ' GLU . 69.8 m-70 61.95 25.03 14.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' CD ' ' O ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -116.83 -34.06 4.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CE3' HG21 ' A' ' 44' ' ' ILE . 37.0 t-105 -104.67 115.81 30.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.501 ' H ' HG22 ' A' ' 44' ' ' ILE . 2.9 tp10 -140.5 129.92 23.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 76.3 t -119.11 109.02 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.121 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD12 HG12 ' A' ' 41' ' ' VAL . 40.7 mt -51.96 -64.63 0.75 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.2 t -151.74 145.33 24.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -136.93 117.36 13.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 t -114.37 163.08 15.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -68.15 -45.14 74.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.2 t -132.02 -37.81 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -41.36 -28.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 124.26 143.23 6.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 16' ' ' LEU . 98.5 m -104.29 122.59 45.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.127 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.508 HG12 HD12 ' A' ' 32' ' ' LEU . 97.3 t -127.01 122.75 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.416 ' HZ ' HG11 ' A' ' 107' ' ' VAL . 53.2 p90 -138.34 159.58 41.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -145.24 123.75 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.574 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.8 pp -124.75 148.92 29.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -92.3 134.74 34.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.9 t -136.23 151.07 49.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -117.59 119.98 36.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -103.42 159.88 15.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.065 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' GLY . 7.1 tp10 -58.42 94.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -37.7 153.32 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -52.46 -31.59 35.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.8 ptm -120.0 37.55 4.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.857 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 63.12 54.19 2.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -145.81 108.01 4.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -34.5 128.76 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 57' ' ' PRO . 48.8 mm -118.51 138.45 25.81 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.662 0.744 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.74 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.577 HD23 ' OE1' ' A' ' 115' ' ' GLN . 67.0 tp -99.58 130.15 45.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -118.1 114.29 22.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.546 ' CD2' HD11 ' A' ' 77' ' ' ILE . 9.8 mt -111.28 121.5 45.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -112.47 101.83 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.741 ' CG ' HG13 ' A' ' 107' ' ' VAL . 98.0 m-85 -93.49 138.23 31.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -120.23 122.94 42.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.2 mt -103.72 99.67 16.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.646 0.736 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -166.48 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.677 2.252 . . . . 0.0 112.37 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.2 m -89.01 -22.19 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 68' ' ' TYR . 75.0 m-20 -75.83 -45.42 35.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.565 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -35.79 144.94 0.23 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.654 0.74 . . . . 0.0 110.909 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.56 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.79 3.51 4.42 Favored 'Cis proline' 0 C--N 1.341 0.161 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.326 -0.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.485 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.27 43.78 0.47 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 22.2 t -175.81 158.9 2.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 99' ' ' GLU . 31.0 mt -87.74 129.82 49.22 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.637 0.732 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.487 ' CD ' ' SD ' ' A' ' 106' ' ' MET . 54.0 Cg_endo -69.75 131.39 21.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.368 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.32 111.01 3.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.689 HG21 HD13 ' A' ' 94' ' ' LEU . 40.8 mt -106.71 125.68 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 t -126.88 107.04 9.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.658 ' CD1' HG22 ' A' ' 75' ' ' ILE . 1.5 mp -96.24 113.03 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -134.87 119.94 18.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.6 t -126.19 144.51 50.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -60.98 -29.35 69.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -86.49 -56.07 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.1 mt -57.14 154.59 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.4 p -103.96 169.21 8.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.87 ' O ' HG23 ' A' ' 88' ' ' VAL . 40.9 ttp180 -52.28 -48.8 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.1 -69.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -42.59 -59.08 2.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 10.0 m -44.79 -60.23 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 84' ' ' ARG . 80.5 t -38.3 -48.54 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 39.1 m -51.86 -50.36 61.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.153 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.1 t -54.15 -63.91 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -42.39 -56.8 2.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -46.54 -53.46 11.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -50.87 -46.09 60.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.689 HD13 HG21 ' A' ' 75' ' ' ILE . 19.8 mt -61.17 -60.5 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.453 HD22 HD12 ' A' ' 75' ' ' ILE . 4.3 mm? -46.67 -43.92 18.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -55.72 -44.43 77.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -72.33 -42.52 65.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -38.15 -59.81 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.403 ' HG2' HD21 ' A' ' 72' ' ' LEU . 11.7 mt-10 -38.74 -58.27 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.0 p -55.71 -32.49 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.7 mt -95.64 35.4 1.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 104' ' ' GLU . 10.0 mt -70.47 178.44 2.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p 37.6 32.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' LEU . 15.6 mt-10 -157.24 161.43 29.37 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.657 0.742 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 87.2 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.487 ' SD ' ' CD ' ' A' ' 73' ' ' PRO . 16.6 ptp -81.79 -47.27 13.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.803 ' O ' HG23 ' A' ' 111' ' ' VAL . 53.6 t -33.77 -52.01 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 109' ' ' GLU . 12.3 t-80 -64.61 -74.87 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.8 mm-40 -37.46 -62.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.478 ' O ' HG22 ' A' ' 114' ' ' ILE . 56.5 mt -35.55 -47.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 107' ' ' VAL . 57.7 t -54.24 -58.38 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 112' ' ' LEU . 6.5 mp -62.11 -25.54 67.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -69.59 -66.2 0.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.935 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.574 HG23 ' N ' ' A' ' 115' ' ' GLN . 5.1 tp -61.12 -51.77 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.577 ' OE1' HD23 ' A' ' 58' ' ' LEU . 5.9 mm100 -34.83 -38.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -96.68 -45.97 6.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -90.32 44.58 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 12.1 tp -89.41 -38.09 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 9.2 ttp85 -67.63 -39.64 84.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.5 t-160 -60.46 -32.13 71.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.559 HG22 HD22 ' A' ' 122' ' ' LEU . 46.3 mm -50.09 -50.91 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.559 HD22 HG22 ' A' ' 121' ' ' ILE . 3.6 mm? -100.7 40.74 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLN . 70.4 m -109.02 -37.34 5.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' SER . 0.6 OUTLIER -35.0 142.47 0.25 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.28 35.04 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.76 37.34 2.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.3 m -51.73 134.5 30.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.508 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -114.96 157.34 23.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p 39.67 50.38 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.67 -64.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.7 p -104.98 176.64 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -154.25 163.37 40.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.48 95.1 1.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.537 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 mmt -142.85 145.56 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.896 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -66.7 152.73 44.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 19.6 mm-40 -60.99 -60.05 11.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.2 Cg_endo -69.8 -29.89 22.97 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.26 . . . . 0.0 112.346 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.896 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 98.9 t -73.53 -36.27 47.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -75.45 -53.21 9.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.6 pt-20 -47.02 -45.85 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' N ' ' HG3' ' A' ' 14' ' ' GLU . 7.4 tp10 -57.14 -67.56 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.5 mt -44.36 -39.47 4.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.6 t -62.84 -48.91 77.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.748 HG12 ' CD1' ' A' ' 22' ' ' ILE . 80.0 t -65.73 -50.13 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 mt -44.88 -52.47 8.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.02 -28.6 17.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' SG ' ' A' ' 24' ' ' CYS . . . -77.82 -52.46 8.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.748 ' CD1' HG12 ' A' ' 18' ' ' VAL . 1.7 mp -41.48 -41.66 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 25' ' ' ARG . 9.3 m-85 -99.35 -23.37 15.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.465 ' C ' ' O ' ' A' ' 23' ' ' PHE . 2.3 m 33.16 35.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 23' ' ' PHE . 3.1 mmp_? -131.46 144.16 52.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -48.7 0.67 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.268 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -71.28 -33.65 69.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -73.86 -6.44 47.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.784 ' HA ' HG22 ' A' ' 44' ' ' ILE . 68.0 t-105 -134.55 111.52 10.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -133.78 101.21 5.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 53.9 t -78.89 93.7 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.6 mt -44.1 -70.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.1 p -139.23 162.6 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' HG3' ' CG1' ' A' ' 31' ' ' VAL . 51.1 mtm180 -141.26 110.86 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.457 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 67.0 m -117.16 164.43 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 16.9 mt-10 -99.96 -42.42 6.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.0 t -100.51 -40.69 7.31 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.163 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 73.0 m-20 -65.67 -44.48 86.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 129.49 160.6 10.25 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 97.3 m -91.15 123.22 34.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.786 0.327 . . . . 0.0 111.161 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.1 122.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.148 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.493 ' O ' HG13 ' A' ' 61' ' ' VAL . 15.0 p90 -145.13 157.4 44.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.559 ' CB ' HG22 ' A' ' 61' ' ' VAL . 4.9 tmm_? -142.41 131.71 23.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.784 HG22 ' HA ' ' A' ' 29' ' ' TRP . 2.7 pp -127.85 151.1 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.4 m170 -88.08 128.52 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.831 HG21 HD12 ' A' ' 60' ' ' LEU . 13.8 t -140.92 148.77 40.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.38 143.0 49.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -104.74 176.15 5.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -64.76 -8.69 15.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 53.39 173.07 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -85.07 -47.49 10.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.911 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.23 41.86 0.85 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t70 45.32 42.38 7.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.97 163.72 25.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.82 105.06 17.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.664 HG23 ' HD2' ' A' ' 57' ' ' PRO . 89.6 mt -90.09 138.71 27.33 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 0.0 111.137 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.664 ' HD2' HG23 ' A' ' 56' ' ' ILE . 54.0 Cg_endo -69.76 101.27 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.674 2.249 . . . . 0.0 112.36 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 21.5 tp -106.59 142.96 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -117.77 116.54 27.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.831 HD12 HG21 ' A' ' 46' ' ' THR . 4.0 mt -114.96 113.22 23.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.559 HG22 ' CB ' ' A' ' 43' ' ' ARG . 67.7 t -112.49 103.74 15.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.608 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 92.8 m-85 -98.38 125.62 43.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -106.61 114.96 29.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD21 HG21 ' A' ' 107' ' ' VAL . 16.7 mt -101.6 97.94 8.63 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.622 0.725 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.6 Cg_endo -69.81 -166.68 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.337 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 36' ' ' GLU . 10.5 m -90.03 -9.78 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 70' ' ' SER . 11.0 m-20 -93.43 -32.09 14.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -51.71 149.86 7.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.711 0.767 . . . . 0.0 110.913 -179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.82 -16.36 12.33 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.326 0.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 1.4 t -34.58 -47.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.2 t -105.69 153.42 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 99' ' ' GLU . 57.2 mt -74.13 134.8 77.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.636 0.732 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 171.75 13.88 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.717 2.278 . . . . 0.0 112.334 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.49 88.35 1.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.5 mt -83.54 135.33 25.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 77' ' ' ILE . 5.0 t -138.36 142.13 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 76' ' ' SER . 39.1 mm -128.47 129.8 68.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -157.04 119.85 4.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.9 t -126.16 142.34 51.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.94 -31.72 51.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -85.12 -58.08 2.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 94.3 mt -49.73 147.22 3.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.7 p -93.06 178.13 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 88' ' ' VAL . 10.2 ttt85 -61.48 -28.79 69.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.75 -44.74 22.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.107 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.604 ' OE1' HD11 ' A' ' 122' ' ' LEU . 70.0 mm-40 -66.88 -57.72 6.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 7.2 p -43.71 -33.47 1.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 84' ' ' ARG . 68.9 t -75.56 -48.28 31.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -49.66 -51.49 37.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.412 ' O ' HD23 ' A' ' 94' ' ' LEU . 52.1 t -54.61 -54.95 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -50.73 -58.5 5.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -40.18 -47.01 2.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.5 ' HG3' HG23 ' A' ' 121' ' ' ILE . 58.5 mmtt -60.04 -55.65 31.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.412 HD23 ' O ' ' A' ' 90' ' ' VAL . 4.6 mm? -47.14 -41.86 18.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -55.48 -51.04 68.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.62 -52.7 37.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 -56.43 -49.83 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -41.07 -62.55 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.482 ' HA ' HD21 ' A' ' 72' ' ' LEU . 32.7 mt-10 -36.12 -65.59 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.4 m -54.09 -29.29 43.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 98' ' ' ALA . 13.3 mt -92.61 36.65 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.0 mt -77.0 156.13 32.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.5 t 57.71 42.92 22.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -170.42 152.86 4.17 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 89.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.475 ' O ' ' C ' ' A' ' 107' ' ' VAL . 4.4 ptp -88.16 -38.97 14.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.781 ' O ' HG23 ' A' ' 111' ' ' VAL . 85.6 t -31.02 -61.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.438 ' CD2' HG12 ' A' ' 22' ' ' ILE . 15.6 t-80 -59.4 -43.65 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 106' ' ' MET . 16.9 mm-40 -63.23 -67.98 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.449 ' O ' HG22 ' A' ' 114' ' ' ILE . 25.3 mt -33.93 -46.48 0.23 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.781 HG23 ' O ' ' A' ' 107' ' ' VAL . 96.9 t -52.84 -52.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 mt -70.33 -36.79 74.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 79.7 t90 -54.33 -56.39 18.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 110' ' ' LEU . 6.9 tp -68.92 -37.75 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.474 ' NE2' HG12 ' A' ' 111' ' ' VAL . 34.8 mt-30 -46.35 -38.43 8.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -104.81 -50.67 3.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -77.42 46.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 7.0 tt -87.55 -48.66 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -29.26 33.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 25.2 t60 -68.48 -36.23 78.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.5 HG23 ' HG3' ' A' ' 93' ' ' LYS . 29.6 mm -49.7 -55.82 4.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.604 HD11 ' OE1' ' A' ' 86' ' ' GLN . 4.1 mm? -85.87 39.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 37.6 t -51.0 -53.51 32.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -108.69 142.17 24.87 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 129.62 17.9 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.453 ' OE1' ' NE2' ' A' ' 86' ' ' GLN . 7.7 pt-20 -53.47 -27.92 27.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.6 p -98.76 173.64 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.495 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.48 ' N ' HH22 ' A' ' 34' ' ' ARG . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 p -69.94 93.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.844 0.354 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 m -150.96 169.77 20.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.54 119.0 11.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 m -114.48 102.35 9.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -97.17 -41.37 8.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.53 81.1 0.55 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -3.36 16.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.881 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -172.35 139.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 14.0 mm-40 -75.71 -62.96 0.7 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.6 Cg_endo -69.81 -50.49 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 11.8 t -54.78 -27.73 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -82.83 -44.26 15.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -64.22 -55.28 22.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' O ' HD12 ' A' ' 19' ' ' LEU . 6.5 tm-20 -42.09 -47.87 4.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.539 ' HA ' HD12 ' A' ' 19' ' ' LEU . 50.3 mt -61.87 -47.18 86.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.7 t -60.4 -63.76 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.9 t -41.98 -46.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.607 ' HA ' HD12 ' A' ' 22' ' ' ILE . 10.1 mt -51.25 -41.43 60.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.21 -32.01 61.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.51 -36.53 29.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.853 HD13 ' CD2' ' A' ' 108' ' ' HIS . 98.7 mt -52.68 -41.92 39.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.079 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -95.48 -50.11 5.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.9 t 38.89 31.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.908 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -97.71 147.0 32.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.875 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 119.85 6.73 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.654 2.236 . . . . 0.0 112.353 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 3.8 m-70 64.78 37.93 7.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -121.85 -26.39 4.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.475 ' HA ' HG22 ' A' ' 44' ' ' ILE . 47.6 t-105 -107.53 114.79 29.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.3 tt0 -144.28 122.2 12.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 32' ' ' LEU . 89.2 t -103.71 105.56 18.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.106 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' VAL . 44.3 mt -35.89 -66.37 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -148.71 164.11 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.48 HH22 ' N ' ' A' ' 1' ' ' GLY . 0.3 OUTLIER -138.7 110.88 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.2 t -119.37 165.5 14.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 36' ' ' GLU . 3.0 mp0 -92.26 -45.48 8.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -99.96 -38.48 8.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -68.55 -18.09 64.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.6 171.86 34.71 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.536 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -110.66 129.97 55.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.401 HG12 HD12 ' A' ' 32' ' ' LEU . 63.1 t -125.41 125.62 69.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 53.9 p90 -136.99 153.59 50.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.743 ' HG3' HG22 ' A' ' 61' ' ' VAL . 17.7 ttm180 -141.46 116.37 9.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.922 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.6 pp -117.51 148.0 20.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -86.0 124.98 33.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.868 HG21 HD12 ' A' ' 60' ' ' LEU . 7.0 t -129.7 159.74 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm -130.94 132.42 45.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HB1' HD22 ' A' ' 118' ' ' LEU . . . -82.78 -176.97 6.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' A' ' 50' ' ' GLY . 67.0 mt-10 -84.07 40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 36.13 -149.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.466 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -109.03 -54.73 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.3 ptm -123.89 65.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 70.48 43.86 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -129.44 173.8 10.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.88 140.25 49.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.667 HG23 ' HD2' ' A' ' 57' ' ' PRO . 77.2 mt -132.66 138.42 31.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.667 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.76 122.28 8.96 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.5 tp -132.53 129.68 39.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -107.13 107.94 19.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.868 HD12 HG21 ' A' ' 46' ' ' THR . 8.4 mt -102.98 112.94 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 ' HG3' ' A' ' 43' ' ' ARG . 19.3 t -107.03 108.19 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.554 ' CD2' HG13 ' A' ' 107' ' ' VAL . 70.8 m-85 -102.36 139.41 38.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 64' ' ' LEU . 1.7 t-160 -125.48 135.05 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 68' ' ' TYR . 13.0 mt -116.38 96.45 47.85 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-O 121.593 0.711 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.6 Cg_endo -69.72 -169.19 0.31 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.674 2.249 . . . . 0.0 112.352 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.1 m -80.8 -21.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.112 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.492 ' O ' ' N ' ' A' ' 71' ' ' CYS . 74.3 m-20 -106.17 48.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.65 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -135.0 149.75 71.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.646 0.736 . . . . 0.0 110.945 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.77 0.68 5.67 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.37 -0.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -32.68 -36.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.492 ' N ' ' O ' ' A' ' 67' ' ' ASN . 12.1 m -131.25 174.83 9.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.2 129.61 91.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 110.938 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -166.97 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.685 2.257 . . . . 0.0 112.33 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -108.62 85.21 0.4 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.687 HD13 ' HB3' ' A' ' 94' ' ' LEU . 64.3 mt -81.13 135.63 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.1 t -139.21 143.89 38.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.512 HD11 ' CD1' ' A' ' 94' ' ' LEU . 9.0 mm -135.18 120.16 28.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -154.83 120.04 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -126.08 153.36 44.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -77.7 0.08 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -115.66 -36.66 4.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.1 mt -75.56 163.37 27.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 56.5 p -98.54 -179.28 4.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -66.58 -57.43 7.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.0 -59.34 3.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.457 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.4 OUTLIER -49.28 -54.88 14.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -42.02 -50.04 4.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.3 t -58.19 -53.73 42.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.0 m -48.52 -48.18 38.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.0 -46.48 91.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -62.35 -56.03 22.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -43.61 -47.35 7.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 mmtt -57.73 -58.71 7.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.687 ' HB3' HD13 ' A' ' 75' ' ' ILE . 8.6 mt -45.09 -41.18 7.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.43 ' HA ' HD13 ' A' ' 95' ' ' LEU . 3.1 mm? -59.37 -41.65 89.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -60.99 -54.02 50.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -62.05 -34.79 76.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -49.81 -59.23 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -38.47 -68.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.6 t -47.03 -30.41 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' ALA . 14.9 mt -93.77 29.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.2 mt -70.53 170.62 11.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 49.7 m 41.8 26.56 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -148.61 160.48 36.02 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.644 0.735 . . . . 0.0 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 88.05 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 107' ' ' VAL . 14.1 ptp -85.29 -43.37 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.682 ' O ' HG23 ' A' ' 111' ' ' VAL . 58.4 t -34.07 -43.26 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.853 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.8 t-160 -79.03 -69.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -37.99 -57.8 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.502 ' O ' HG22 ' A' ' 114' ' ' ILE . 41.0 mt -41.19 -63.59 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 107' ' ' VAL . 47.6 t -40.06 -51.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.5 mt -67.15 -31.07 71.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.445 ' N ' ' O ' ' A' ' 110' ' ' LEU . 76.0 t90 -68.0 -60.64 2.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.768 HD13 HD12 ' A' ' 121' ' ' ILE . 1.5 tp -60.48 -28.77 43.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -68.2 -32.23 72.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -103.01 -15.02 16.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.445 ' ND2' ' CD1' ' A' ' 113' ' ' TRP . 66.6 m-80 -112.27 24.2 12.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.638 HD12 HD11 ' A' ' 114' ' ' ILE . 6.2 tp -64.76 -71.33 0.19 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.92 -27.2 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -69.83 -41.6 74.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.768 HD12 HD13 ' A' ' 114' ' ' ILE . 90.7 mt -74.98 -42.53 45.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 18.9 mt -83.71 35.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.946 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 124' ' ' GLN . 3.9 t -107.18 -56.18 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 123' ' ' SER . 1.3 mp0 -36.03 143.76 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 148.23 64.92 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.703 2.269 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.438 ' OE1' ' C ' ' A' ' 126' ' ' GLU . 0.5 OUTLIER -103.04 128.85 49.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.4 m -77.72 -64.27 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.7 p -56.7 -44.69 81.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -81.57 94.49 6.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.92 153.42 25.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -156.94 132.32 9.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 m -133.52 175.17 9.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.06 -167.79 11.13 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.42 -26.54 3.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.786 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -149.72 150.62 32.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 18.0 mm-40 -57.54 -60.05 11.04 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.588 0.709 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.5 Cg_endo -69.81 -38.97 6.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.786 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 84.7 t -57.98 -43.91 85.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -71.61 -54.15 11.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.6 mt-10 -45.75 -50.14 14.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -52.81 -54.68 30.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.2 mt -55.63 -47.67 76.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 29.2 t -57.02 -55.66 31.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 14' ' ' GLU . 85.8 t -53.86 -54.25 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.536 HD22 ' CE1' ' A' ' 23' ' ' PHE . 31.5 mt -54.46 -49.78 69.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.489 ' O ' ' CA ' ' A' ' 24' ' ' CYS . . . -43.19 -23.62 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' N ' ' C ' ' A' ' 19' ' ' LEU . . . -69.06 -61.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' H ' HD12 ' A' ' 22' ' ' ILE . 5.0 mp -69.73 -36.09 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.536 ' CE1' HD22 ' A' ' 19' ' ' LEU . 20.1 m-85 -91.07 0.15 57.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.489 ' CA ' ' O ' ' A' ' 20' ' ' ALA . 21.1 p -33.16 -41.64 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' CD ' ' HB2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -36.17 133.31 0.59 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.718 . . . . 0.0 110.889 -179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 3.71 2.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.382 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.488 ' HB2' ' CD ' ' A' ' 25' ' ' ARG . 3.6 m170 -126.1 -14.56 6.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.416 ' HG2' ' CD2' ' A' ' 23' ' ' PHE . 6.7 tt0 -94.19 -33.89 13.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.45 ' CZ2' ' CG2' ' A' ' 31' ' ' VAL . 44.5 t-105 -102.17 121.01 41.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -144.45 123.14 12.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' CG2' ' CZ2' ' A' ' 29' ' ' TRP . 73.3 t -118.42 104.24 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.099 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.3 mt -53.35 -64.28 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m -152.01 136.08 16.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -119.83 110.61 16.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 2.0 m -103.87 164.79 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.08 -37.7 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -100.09 -27.96 13.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.16 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.418 ' HB3' ' CB ' ' A' ' 35' ' ' SER . 11.4 t70 -89.52 -23.42 22.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 110.27 164.47 19.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.3 m -99.92 126.38 46.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.48 144.55 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 62' ' ' PHE . 18.5 p90 -163.76 151.47 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -132.06 105.08 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.853 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.9 pp -101.25 152.03 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -98.2 132.13 43.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.6 t -137.28 151.95 49.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.8 mtmm -128.05 132.98 49.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -97.96 -175.07 3.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 50' ' ' GLY . 20.0 mt-10 -83.91 35.1 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . 34.43 -134.8 0.36 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -127.66 -37.85 1.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.5 ptm -115.49 40.44 2.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 t70 69.82 37.19 1.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -128.65 104.56 7.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -44.82 132.0 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.674 HG23 ' HD2' ' A' ' 57' ' ' PRO . 41.9 mm -117.78 138.65 25.5 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.575 0.702 . . . . 0.0 111.176 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 129.78 18.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.28 . . . . 0.0 112.358 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.6 mt -136.94 156.39 48.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.722 ' OE2' HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -136.43 116.99 13.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.463 ' N ' ' OE2' ' A' ' 59' ' ' GLU . 7.3 mt -118.96 119.98 35.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.722 HG23 ' OE2' ' A' ' 59' ' ' GLU . 48.2 t -106.75 102.01 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CE1' HG12 ' A' ' 75' ' ' ILE . 94.6 m-85 -95.16 122.42 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -104.49 118.74 37.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.596 HD21 HG21 ' A' ' 107' ' ' VAL . 20.2 mt -104.59 96.55 10.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.653 0.74 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.71 -166.43 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.735 2.29 . . . . 0.0 112.348 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.0 m -87.64 -31.65 5.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -69.48 -43.22 73.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.37 149.86 0.29 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.673 0.749 . . . . 0.0 110.904 -179.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.543 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.76 -8.18 10.36 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.636 -1.818 . . . . 0.0 112.387 -0.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' PRO . 7.1 t -34.32 -45.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.6 m -106.61 174.59 5.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.7 mt -90.63 137.22 27.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.627 0.727 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 136.96 34.49 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -72.02 107.78 2.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.535 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.627 HG22 ' CD1' ' A' ' 77' ' ' ILE . 24.9 mt -101.16 134.27 41.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.5 ' C ' HD12 ' A' ' 77' ' ' ILE . 18.1 m -129.01 115.14 17.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.627 ' CD1' HG22 ' A' ' 75' ' ' ILE . 1.4 mp -105.19 112.85 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -145.17 119.9 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.2 t -126.03 146.22 49.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.808 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -65.7 -19.19 65.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -90.79 -52.09 5.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.92 159.68 25.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.5 p -98.43 166.23 11.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' HG23 ' A' ' 88' ' ' VAL . 6.2 tpt180 -51.03 -50.0 59.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.68 -67.26 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -43.63 -42.17 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 19.6 m -57.32 -53.65 55.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 84' ' ' ARG . 93.6 t -47.13 -50.02 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 98.2 m -51.97 -62.13 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.443 HG12 ' CD1' ' A' ' 94' ' ' LEU . 41.2 t -38.55 -64.81 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -43.64 -57.42 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -42.88 -51.2 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.69 ' HG3' HG23 ' A' ' 121' ' ' ILE . 62.5 mmtt -57.94 -57.23 13.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD22 HG21 ' A' ' 75' ' ' ILE . 3.3 mp -48.12 -55.68 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.17 -48.98 61.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -51.47 -45.16 62.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -68.16 -44.33 76.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -39.64 -58.15 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -37.58 -63.06 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.7 t -50.9 -36.56 38.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 98' ' ' ALA . 9.0 mt -93.76 39.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -76.22 172.59 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.1 m 41.66 30.93 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -153.92 160.56 30.8 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 99.78 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.43 ' O ' ' C ' ' A' ' 107' ' ' VAL . 19.1 ptp -101.32 -40.99 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.784 ' O ' HG23 ' A' ' 111' ' ' VAL . 59.6 t -33.84 -54.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.492 ' HA ' HD21 ' A' ' 19' ' ' LEU . 11.9 t-160 -65.9 -57.69 7.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 112' ' ' LEU . 0.8 OUTLIER -50.12 -66.36 0.4 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 109' ' ' GLU . 18.5 mt -34.49 -51.08 0.46 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.784 HG23 ' O ' ' A' ' 107' ' ' VAL . 88.0 t -53.34 -44.01 53.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 109' ' ' GLU . 33.1 mt -78.15 -13.92 59.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -85.5 -45.27 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 4.9 tp -71.68 -25.26 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.126 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -60.97 -34.41 74.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -104.7 -39.8 6.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.0 36.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.1 tt -82.49 -57.57 3.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 28.3 ptt180 -59.1 -41.29 87.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.424 ' N ' ' HG3' ' A' ' 119' ' ' ARG . 8.0 t-80 -51.34 -62.83 1.38 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.808 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.69 HG23 ' HG3' ' A' ' 93' ' ' LYS . 74.3 mt -36.75 -44.82 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.12 -72.63 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.7 t 66.58 37.01 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -114.98 83.72 9.88 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 113.97 3.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.406 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -102.02 -43.58 5.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 127' ' ' THR . 13.9 m 66.47 51.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.475 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 m 59.22 41.26 20.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.924 0.393 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 t -123.73 80.21 1.78 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.82 173.02 28.9 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -121.15 43.64 2.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -151.71 134.0 15.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.881 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.93 -103.23 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.31 -29.49 7.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.934 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -170.71 152.77 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 4.7 mm-40 -66.01 -60.09 7.7 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.67 0.747 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.2 Cg_endo -69.79 -47.03 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.934 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 86.7 t -52.6 -42.24 39.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -72.9 -60.03 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.632 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.0 mm-40 -41.69 -41.16 2.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -63.66 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.884 HD11 HG21 ' A' ' 40' ' ' THR . 83.0 mt -46.09 -45.68 16.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 30.2 t -66.89 -62.66 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 14' ' ' GLU . 48.3 t -43.49 -43.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HE2' ' A' ' 23' ' ' PHE . 15.8 mt -52.12 -47.2 65.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.97 -24.51 9.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.66 -46.58 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.642 HD13 ' NE2' ' A' ' 108' ' ' HIS . 40.7 mt -52.6 -41.88 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.405 ' HE2' HD22 ' A' ' 19' ' ' LEU . 89.3 m-85 -84.31 -54.52 4.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 p 45.83 28.84 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -97.51 143.32 25.98 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.616 0.722 . . . . 0.0 110.874 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 134.89 29.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.331 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 46.63 34.37 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -119.61 -9.69 9.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.714 ' CE3' HG21 ' A' ' 44' ' ' ILE . 16.9 t-105 -123.16 122.39 38.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -142.27 142.03 32.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 32' ' ' LEU . 53.8 t -119.81 98.03 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.825 HD12 HG12 ' A' ' 41' ' ' VAL . 53.2 mt -36.25 -69.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.8 m -160.83 146.44 14.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -124.66 133.09 53.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.4 t -112.02 155.22 24.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -64.76 -46.02 83.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 39' ' ' GLY . 8.2 t -130.94 -43.87 1.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' N ' HG23 ' A' ' 37' ' ' THR . 8.1 t70 -40.13 -25.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 37' ' ' THR . . . 130.28 -167.42 21.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.884 HG21 HD11 ' A' ' 16' ' ' LEU . 88.0 m -144.75 123.67 12.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 111.183 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.825 HG12 HD12 ' A' ' 32' ' ' LEU . 52.6 t -118.93 116.83 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.519 ' CD2' ' CD2' ' A' ' 16' ' ' LEU . 26.1 p90 -138.23 152.15 48.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.638 ' HG3' HG22 ' A' ' 61' ' ' VAL . 31.1 ttp180 -137.06 127.7 26.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.714 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.6 pp -123.47 143.96 34.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -92.1 127.94 37.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.644 HG21 HD12 ' A' ' 60' ' ' LEU . 7.9 t -135.28 160.07 39.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -128.49 126.73 41.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.44 -176.94 5.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.081 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -78.38 4.34 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.3 -142.69 44.63 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.466 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -121.93 -32.81 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.832 0.348 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 53' ' ' ASP . 5.0 ptm -131.88 83.02 2.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 52' ' ' MET . 2.4 t70 35.37 43.85 0.15 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -132.3 160.82 35.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.43 136.39 41.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.629 HG23 ' HD2' ' A' ' 57' ' ' PRO . 37.6 mm -117.45 138.18 24.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.588 0.708 . . . . 0.0 111.162 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.629 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 89.4 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.6 tp -98.08 125.23 42.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -108.58 101.25 10.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.74 HD13 HG22 ' A' ' 111' ' ' VAL . 10.0 mt -99.61 105.02 16.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.638 HG22 ' HG3' ' A' ' 43' ' ' ARG . 45.8 t -106.92 103.66 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.61 ' CD2' HG13 ' A' ' 107' ' ' VAL . 66.3 m-85 -100.77 127.9 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -116.22 120.02 37.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.635 HD22 ' CE2' ' A' ' 68' ' ' TYR . 2.6 mt -103.56 96.45 8.79 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.588 0.709 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.4 ' HG2' ' SG ' ' A' ' 71' ' ' CYS . 53.8 Cg_endo -69.7 -168.2 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.379 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -63.29 -69.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.456 ' C ' ' O ' ' A' ' 66' ' ' VAL . 5.2 m120 -33.85 -53.37 0.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.635 ' CE2' HD22 ' A' ' 64' ' ' LEU . 3.2 t80 -34.75 142.57 0.24 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 0.0 110.921 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.556 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.79 -11.3 11.91 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.594 -1.836 . . . . 0.0 112.375 -0.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 69' ' ' PRO . 28.6 m -34.12 -46.42 0.24 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' SG ' ' HG2' ' A' ' 65' ' ' PRO . 1.4 p -110.56 165.55 11.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.48 143.01 78.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.569 0.7 . . . . 0.0 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' HB3' HD23 ' A' ' 64' ' ' LEU . 53.9 Cg_endo -69.74 138.46 37.94 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.356 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -61.32 90.9 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.431 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.3 mt -81.26 134.51 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.0 m -138.14 117.94 13.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.479 HD11 ' CD1' ' A' ' 94' ' ' LEU . 21.8 mm -108.58 118.3 55.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -149.74 122.81 8.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.9 t -124.42 135.91 53.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -62.29 -10.29 10.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -104.91 -56.54 2.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 45.2 mt -57.7 163.58 2.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 48.7 p -97.98 175.4 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -53.3 -62.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.17 -55.35 28.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -48.81 -25.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 11.4 m -88.68 -66.55 0.91 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 1.8 p -38.92 -33.61 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.0 m -63.87 -64.85 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.422 HG13 ' CD1' ' A' ' 114' ' ' ILE . 48.9 t -38.84 -47.28 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HG2' HD23 ' A' ' 95' ' ' LEU . 68.1 tttt -59.24 -61.03 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 91' ' ' LYS . 18.2 mt-10 -34.83 -45.79 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.856 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -67.39 -54.45 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 77' ' ' ILE . 38.0 mt -44.64 -41.13 6.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.454 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.1 mm? -54.3 -61.13 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -41.12 -52.05 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.89 -55.08 39.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.942 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.679 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -36.92 -58.45 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 102' ' ' LEU . 20.2 mt-10 -42.21 -65.7 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.0 t -47.04 -28.26 1.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.823 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.1 mt -96.46 30.22 2.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 99' ' ' GLU . 9.4 mt -65.19 159.24 24.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.8 m 51.59 26.85 3.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -153.03 160.68 30.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.677 0.751 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.25 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.652 2.234 . . . . 0.0 112.366 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.679 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 6.5 ptp -101.1 -34.71 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.61 HG13 ' CD2' ' A' ' 62' ' ' PHE . 54.3 t -41.51 -50.42 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.642 ' NE2' HD13 ' A' ' 22' ' ' ILE . 10.2 t-160 -67.42 -65.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 110' ' ' LEU . 28.0 mt-10 -41.97 -63.47 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 109' ' ' GLU . 16.0 mt -36.36 -58.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.74 HG22 HD13 ' A' ' 60' ' ' LEU . 37.8 t -43.31 -49.49 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.604 HD11 ' NE2' ' A' ' 108' ' ' HIS . 10.6 mt -70.82 -33.56 70.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -62.22 -63.31 1.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.568 HG23 ' N ' ' A' ' 115' ' ' GLN . 6.4 tp -61.65 -49.87 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.568 ' N ' HG23 ' A' ' 114' ' ' ILE . 4.0 mm100 -40.11 -40.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.978 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -88.18 -35.6 17.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -103.74 40.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 114' ' ' ILE . 45.7 tp -79.67 -49.52 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -66.54 -47.08 74.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -44.6 -52.8 7.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.414 HD12 ' CD1' ' A' ' 114' ' ' ILE . 62.8 mt -65.81 -46.71 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.5 mt -83.44 36.5 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.8 t -96.44 -43.85 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -54.27 130.83 61.06 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.628 0.727 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 147.18 62.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.345 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -110.14 161.33 15.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.7 m -89.7 94.63 9.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.154 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.521 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 t -116.35 163.05 16.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.353 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -123.23 120.44 33.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.23 89.61 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.511 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.0 t -140.5 148.23 40.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.379 . . . . 0.0 110.826 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -108.85 118.33 36.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.84 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.27 -48.92 0.38 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 mmm -75.78 155.89 35.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.822 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -63.4 144.66 56.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 3.1 mm-40 -70.57 -59.38 3.89 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.74 -51.08 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.369 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.822 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 61.6 t -53.31 -51.74 37.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.095 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' ALA . 46.3 tt0 -53.45 -50.81 64.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 17' ' ' SER . 16.7 mm-40 -48.98 -65.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' GLU . 21.7 tt0 -35.81 -50.27 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 mt -60.91 -43.59 98.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.547 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 15.3 t -64.38 -52.16 59.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 75.2 t -48.22 -57.66 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.122 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.3 mt -48.07 -40.45 23.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -46.11 -34.73 4.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.96 -58.42 4.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 22' ' ' ILE . 3.0 mp -44.5 -56.03 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -79.66 -51.82 8.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' ALA . 46.9 t 43.47 37.85 1.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -140.42 139.19 20.03 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.619 0.723 . . . . 0.0 110.832 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -14.08 35.51 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.716 2.277 . . . . 0.0 112.299 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -98.05 -40.22 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' N ' ' CD ' ' A' ' 28' ' ' GLU . 1.4 mp0 -76.06 -45.34 34.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.708 ' CE3' HG21 ' A' ' 44' ' ' ILE . 71.7 t-105 -99.72 118.97 37.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.663 ' H ' HG22 ' A' ' 44' ' ' ILE . 12.9 tt0 -144.39 124.07 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.594 HG13 ' HB3' ' A' ' 42' ' ' PHE . 84.5 t -114.87 110.01 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.3 mt -55.63 -61.58 2.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.2 m -152.27 143.16 23.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -134.16 136.23 43.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.5 m -121.11 166.8 13.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -65.12 -60.37 3.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.754 ' O ' HG12 ' A' ' 66' ' ' VAL . 4.5 t -125.9 -37.13 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -39.02 -40.72 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 145.85 158.25 7.64 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -124.94 124.8 42.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.343 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -120.87 127.62 75.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.594 ' HB3' HG13 ' A' ' 31' ' ' VAL . 40.5 p90 -148.92 149.4 31.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.729 ' HG3' HG22 ' A' ' 61' ' ' VAL . 20.4 ttt180 -131.07 102.79 6.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.708 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.0 pp -106.35 150.85 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.489 ' CD2' ' OE2' ' A' ' 59' ' ' GLU . 38.8 m170 -100.44 144.7 29.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.42 HG23 ' HB2' ' A' ' 58' ' ' LEU . 11.7 t -140.98 154.59 46.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -121.51 136.12 54.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' HB1' ' HG ' ' A' ' 118' ' ' LEU . . . -109.13 169.24 8.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -54.74 -14.31 1.34 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.464 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 53.25 -126.92 35.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.481 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 28.1 m-85 -147.04 116.39 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 21.9 mtm 74.97 45.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 60.72 28.8 18.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.807 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.79 100.04 9.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.26 127.17 30.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 69.2 mt -113.76 131.75 22.92 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.646 0.736 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 129.79 18.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 58' ' ' LEU . 3.8 mm? -116.82 162.15 18.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.954 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 45' ' ' HIS . 3.6 tp10 -136.1 106.78 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.5 mt -117.04 118.15 31.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.729 HG22 ' HG3' ' A' ' 43' ' ' ARG . 97.6 t -112.65 103.34 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.504 ' HB2' ' CZ ' ' A' ' 42' ' ' PHE . 95.9 m-85 -98.52 119.9 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -110.75 115.42 29.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD13 HG13 ' A' ' 12' ' ' VAL . 41.9 mt -94.67 105.09 16.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.604 0.716 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -163.78 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.331 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 37' ' ' THR . 19.0 m -91.07 -24.73 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' TYR . 5.5 m120 -80.66 -41.79 23.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.615 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -35.67 148.51 0.14 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.685 0.755 . . . . 0.0 110.912 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.6 Cg_endo -69.79 3.09 4.58 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 -1.788 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.492 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 49.0 m -76.42 45.01 0.37 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 47.9 t -176.05 154.54 1.45 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.492 HD11 ' HG3' ' A' ' 99' ' ' GLU . 4.3 mm? -83.04 128.46 65.21 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 151.84 69.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.26 82.04 1.65 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 26.5 mt -78.3 138.65 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 t -142.2 134.76 28.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.6 mm -126.6 123.08 62.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -157.09 121.4 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.5 t -124.91 149.94 47.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.816 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -67.08 -27.15 67.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -87.91 -61.31 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.2 mt -55.47 146.69 19.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.4 p -82.12 169.57 16.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.7 ' O ' HG23 ' A' ' 88' ' ' VAL . 65.0 ttt180 -56.93 -65.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -44.55 -36.54 3.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -69.59 -65.95 0.65 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 14.9 p -48.7 -31.61 7.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 84' ' ' ARG . 93.0 t -66.15 -45.15 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 69.5 m -60.82 -40.98 94.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 90.3 t -55.57 -56.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.121 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HG2' HD23 ' A' ' 95' ' ' LEU . 39.2 tttt -53.46 -56.64 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -40.66 -42.45 1.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -63.14 -49.6 73.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.867 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.8 mt -54.68 -42.41 71.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.475 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.3 mm? -51.39 -55.16 20.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.92 -54.89 13.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -55.15 -47.67 74.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -45.13 -59.31 2.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 102' ' ' LEU . 28.3 mt-10 -46.43 -64.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 t -52.21 -35.76 50.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.403 ' O ' ' CG ' ' A' ' 104' ' ' GLU . 10.1 mt -91.81 38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.948 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.508 HD12 ' O ' ' A' ' 99' ' ' GLU . 3.8 mt -75.84 162.35 28.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 t 56.65 39.82 29.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 7.5 pt-20 -166.62 155.47 9.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.88 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.434 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -85.02 -31.67 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.868 179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 111' ' ' VAL . 96.3 t -35.76 -51.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -71.02 -54.31 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 110' ' ' LEU . 67.3 mm-40 -47.0 -66.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.483 HD13 ' HE1' ' A' ' 62' ' ' PHE . 13.7 mt -35.66 -63.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 107' ' ' VAL . 86.7 t -36.7 -57.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.126 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 36.0 mt -62.8 -43.77 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.531 ' CZ3' HD11 ' A' ' 121' ' ' ILE . 87.0 t90 -46.42 -67.93 0.24 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 121' ' ' ILE . 4.9 tp -53.53 -41.8 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -54.52 -27.79 40.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -94.82 -51.26 4.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.45 ' OD1' ' CD2' ' A' ' 113' ' ' TRP . 0.5 OUTLIER -89.28 35.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.442 HD13 ' C ' ' A' ' 118' ' ' LEU . 1.1 tm? -60.95 -67.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 120' ' ' HIS . 17.5 ptt180 -59.11 -46.92 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.48 ' CD2' ' C ' ' A' ' 120' ' ' HIS . 2.3 t60 -42.28 -46.84 4.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.641 HD12 HD12 ' A' ' 114' ' ' ILE . 78.8 mt -64.69 -64.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.46 -34.69 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.0 t -96.75 73.89 2.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.846 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -123.29 155.78 64.49 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.633 0.73 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 3.2 2.93 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 73.16 36.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.6 p -92.2 109.46 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -165.37 145.84 7.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 m -123.09 151.45 42.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.51 118.81 3.78 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.507 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -120.38 116.17 24.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.837 0.351 . . . . 0.0 110.846 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -127.18 151.64 48.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.11 124.53 1.4 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.431 ' CE ' ' HB3' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -124.56 -17.64 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.791 0.329 . . . . 0.0 110.884 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.619 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -174.97 128.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.084 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.564 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 6.0 mt-10 -72.03 -56.59 4.41 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.678 0.751 . . . . 0.0 110.924 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.1 Cg_endo -69.77 -52.25 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.322 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 37.7 t -47.12 -45.28 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.145 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 20.5 mt-10 -61.16 -60.98 2.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -42.5 -48.97 5.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.447 ' CD2' ' CE2' ' A' ' 42' ' ' PHE . 95.3 mt -58.57 -63.53 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 44.9 t -43.81 -56.14 4.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 85.4 t -47.82 -56.48 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.805 HD11 HG11 ' A' ' 107' ' ' VAL . 14.7 mt -48.21 -54.17 14.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -49.86 -28.0 5.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -74.33 -47.03 37.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.499 HD13 ' CD2' ' A' ' 108' ' ' HIS . 50.2 mt -58.11 -30.8 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.18 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.469 ' O ' ' C ' ' A' ' 24' ' ' CYS . 81.8 m-85 -99.22 -60.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.469 ' C ' ' O ' ' A' ' 23' ' ' PHE . 1.3 m 32.3 40.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' PHE . 15.0 mtp85 -106.33 153.37 40.46 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 105.56 1.5 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.363 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 74.77 39.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -119.23 -30.23 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.78 ' CE3' HG21 ' A' ' 44' ' ' ILE . 26.9 t-105 -110.56 111.53 22.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -126.47 140.5 52.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.706 HG23 ' HB3' ' A' ' 42' ' ' PHE . 2.4 p -127.74 106.09 14.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.7 mt -43.56 -66.9 0.33 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.0 t -145.29 160.5 41.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -140.82 118.05 11.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.816 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 48.7 m -117.99 166.9 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.67 -54.85 3.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.8 t -99.35 -43.19 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.459 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 8.4 m-20 -56.3 -19.26 13.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.65 -163.21 12.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.0 m -145.71 126.47 14.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 0.0 111.151 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -126.98 133.4 68.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.706 ' HB3' HG23 ' A' ' 31' ' ' VAL . 13.4 p90 -149.26 147.58 28.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -124.91 116.59 22.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.78 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -111.39 148.37 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -85.69 130.12 34.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.862 HG21 HD12 ' A' ' 60' ' ' LEU . 7.3 t -133.78 157.71 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -134.38 135.24 42.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.96 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -99.51 171.41 7.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -62.94 -9.84 11.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.525 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 66.43 -148.29 50.59 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.431 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -122.33 -54.02 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.615 ' SD ' ' HB3' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -105.39 74.97 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' MET . 0.1 OUTLIER 35.11 50.46 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.615 ' HB3' ' SD ' ' A' ' 52' ' ' MET . . . -144.69 119.37 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.048 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.1 120.49 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.525 HD12 ' HA2' ' A' ' 50' ' ' GLY . 30.3 mt -91.76 131.75 34.85 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 93.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.237 . . . . 0.0 112.35 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.412 ' HB3' HG23 ' A' ' 46' ' ' THR . 1.3 tt -100.9 142.65 32.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -116.1 120.36 38.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.862 HD12 HG21 ' A' ' 46' ' ' THR . 3.8 mt -115.75 131.27 56.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.28 107.85 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CE1' HG12 ' A' ' 75' ' ' ILE . 91.2 m-85 -98.78 138.52 35.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -119.66 131.76 55.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.405 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 44.1 mt -106.32 96.75 14.23 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.4 Cg_endo -69.82 -164.69 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.3 m -94.95 -13.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.46 ' CB ' ' HB2' ' A' ' 71' ' ' CYS . 88.0 m-20 -85.09 -43.26 14.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.642 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.96 150.14 0.77 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.701 0.763 . . . . 0.0 110.944 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.7 Cg_endo -69.75 1.08 5.47 Favored 'Cis proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.344 -0.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.489 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.3 t -78.79 44.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.46 ' HB2' ' CB ' ' A' ' 67' ' ' ASN . 5.7 t -175.27 170.8 3.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.92 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.9 mt -93.92 131.24 32.29 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 143.4 50.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.708 2.272 . . . . 0.0 112.33 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.32 92.63 0.87 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 62' ' ' PHE . 92.1 mt -89.38 138.51 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -130.86 109.61 10.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 28.8 mm -96.04 124.19 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -155.48 119.94 4.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.533 ' HB3' HD12 ' A' ' 82' ' ' LEU . 1.9 t -126.06 124.62 41.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 80' ' ' GLU . 8.8 tm-20 -42.83 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 79' ' ' SER . 7.3 mm100 -87.89 -57.32 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' A' ' 79' ' ' SER . 44.6 mt -57.21 175.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.9 p -117.67 178.35 4.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.499 ' O ' HG23 ' A' ' 88' ' ' VAL . 14.8 ttm180 -59.65 -60.32 4.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.5 -56.69 14.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -48.49 -53.22 18.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 88' ' ' VAL . 33.3 m -51.87 -59.28 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 84' ' ' ARG . 88.5 t -37.47 -44.45 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.119 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.6 m -58.61 -50.34 74.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.157 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.06 -55.67 23.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 12.4 tmtt? -48.94 -51.88 27.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.473 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 51.8 mm-40 -50.19 -44.8 53.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -57.85 -60.9 3.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD22 HG21 ' A' ' 75' ' ' ILE . 3.9 mp -41.47 -44.62 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.468 ' CD2' ' HE2' ' A' ' 91' ' ' LYS . 4.3 mm? -60.5 -52.42 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -48.06 -44.17 31.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 98' ' ' ALA . 7.6 mm100 -65.49 -53.68 39.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.629 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -35.69 -55.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -39.4 -59.29 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.3 t -58.06 -29.79 65.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.3 mt -98.86 36.9 1.59 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 12.2 mt -69.88 174.45 5.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.1 t 41.98 27.35 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -148.34 161.39 34.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.646 0.736 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 84.98 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.648 2.232 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.629 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 19.9 ptp -81.59 -39.17 24.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.805 HG11 HD11 ' A' ' 19' ' ' LEU . 42.3 t -33.88 -59.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.499 ' CD2' HD13 ' A' ' 22' ' ' ILE . 11.7 t-160 -64.84 -67.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' HIS . 26.6 mt-10 -36.73 -64.18 0.36 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD13 HD11 ' A' ' 75' ' ' ILE . 14.8 mt -38.4 -63.71 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.541 HG22 HD13 ' A' ' 60' ' ' LEU . 21.6 t -36.65 -60.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.439 HD23 ' OE1' ' A' ' 115' ' ' GLN . 45.9 mt -58.05 -45.55 86.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -49.84 -59.06 4.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.965 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.438 ' CD1' HD12 ' A' ' 121' ' ' ILE . 5.6 tp -67.08 -37.59 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.439 ' OE1' HD23 ' A' ' 112' ' ' LEU . 41.5 mt-30 -48.47 -33.07 8.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -104.53 -36.39 7.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -95.12 45.06 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.4 HD13 ' CB ' ' A' ' 48' ' ' ALA . 10.4 tt -87.74 -55.24 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -65.56 -32.0 73.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -59.19 -35.39 73.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.438 HD12 ' CD1' ' A' ' 114' ' ' ILE . 77.4 mt -66.57 -50.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.66 -73.6 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.8 m 61.91 35.31 16.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -125.37 80.83 64.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.725 . . . . 0.0 110.891 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 87.01 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.334 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -90.71 144.81 25.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 13.8 t -172.09 131.47 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.118 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.468 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -72.91 -56.95 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.377 . . . . 0.0 110.844 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.2 m -153.04 126.87 8.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.19 85.11 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -128.29 110.35 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -44.15 137.27 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.32 -151.03 17.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.406 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -104.35 -31.86 9.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.759 0.314 . . . . 0.0 110.83 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.883 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -134.3 159.7 40.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 15.8 mt-10 -73.25 -60.88 1.61 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.616 0.722 . . . . 0.0 110.867 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 54.1 Cg_endo -69.71 -40.61 5.19 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.706 2.271 . . . . 0.0 112.327 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.883 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 92.4 t -53.44 -52.95 27.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -60.13 -56.14 25.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.473 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mt-10 -46.84 -46.2 20.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -52.36 -58.56 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.6 mt -51.38 -45.57 62.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.3 t -61.09 -61.01 2.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 95.9 t -48.0 -51.12 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.671 HD21 ' HB2' ' A' ' 108' ' ' HIS . 30.0 mt -54.11 -56.91 13.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -41.85 -33.95 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 18' ' ' VAL . . . -58.9 -52.72 64.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 54.8 mt -65.45 -39.29 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ARG . 48.4 m-85 -83.03 -7.06 59.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' ALA . 52.0 t -39.46 -25.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' PHE . 57.6 mtt180 -39.17 159.95 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.679 0.752 . . . . 0.0 110.847 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.31 4.03 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.75 2.3 . . . . 0.0 112.317 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 62.97 44.47 5.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.845 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -128.48 -7.23 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.495 ' CE3' HG21 ' A' ' 44' ' ' ILE . 68.8 t-105 -127.25 105.71 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.535 ' H ' HG22 ' A' ' 44' ' ' ILE . 2.5 tp10 -130.14 140.47 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG23 ' HB3' ' A' ' 42' ' ' PHE . 2.1 p -130.08 108.45 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.147 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.6 mt -51.82 -61.05 2.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.0 t -145.98 141.44 27.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -133.54 113.15 12.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.488 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 43.5 m -106.0 167.39 9.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -84.42 -54.06 5.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.685 ' O ' HG12 ' A' ' 66' ' ' VAL . 4.6 t -111.29 -38.48 4.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.488 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 4.1 m-20 -50.82 -32.48 20.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.47 -168.7 24.34 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -149.15 123.89 9.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.811 0.339 . . . . 0.0 111.127 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 79.1 t -131.69 145.88 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.439 ' HB3' HG23 ' A' ' 31' ' ' VAL . 12.8 p90 -163.41 162.52 24.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -139.14 107.19 5.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.87 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.0 pp -109.31 152.16 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -88.44 128.23 35.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 1.014 HG21 HD12 ' A' ' 60' ' ' LEU . 13.3 t -130.79 153.93 48.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -123.69 161.89 24.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' A' ' 118' ' ' LEU . . . -135.85 167.35 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 50' ' ' GLY . 10.1 mm-40 -62.75 85.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.33 151.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.523 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -57.35 -37.32 72.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.902 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 7.8 ptp -114.55 37.35 3.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 62.04 54.66 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -142.86 116.02 8.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.62 112.67 0.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 59.2 mt -102.38 132.47 21.38 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.656 0.741 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 128.18 15.67 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.2 mt -130.09 151.38 50.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.72 ' OE1' HG23 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -117.77 107.86 14.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.014 HD12 HG21 ' A' ' 46' ' ' THR . 6.0 mt -114.91 115.02 26.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.72 HG23 ' OE1' ' A' ' 59' ' ' GLU . 80.5 t -112.15 102.3 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -92.97 120.6 33.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -108.55 114.9 29.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD21 HG21 ' A' ' 107' ' ' VAL . 38.2 mt -95.5 104.48 15.95 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.1 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.356 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 37' ' ' THR . 30.5 m -87.62 -29.86 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 68' ' ' TYR . 40.2 m-80 -71.17 -44.55 65.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.706 ' CE1' HG22 ' A' ' 12' ' ' VAL . 0.2 OUTLIER -33.18 146.32 0.1 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.713 0.768 . . . . 0.0 110.938 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.564 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.74 2.12 4.98 Favored 'Cis proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.385 -0.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.472 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 3.5 m -80.0 43.66 0.62 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 46.3 t -175.19 151.49 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.59 124.48 79.9 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.595 0.712 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 141.29 44.72 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.55 93.59 0.82 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.456 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.577 HG21 HD22 ' A' ' 94' ' ' LEU . 59.7 mt -91.11 142.56 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.13 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.3 p -130.86 146.13 52.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.534 HD11 HD21 ' A' ' 60' ' ' LEU . 30.1 mm -136.49 116.67 17.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.22 119.9 4.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.536 ' HB3' HD12 ' A' ' 82' ' ' LEU . 3.0 t -126.12 140.0 52.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -48.27 -33.34 8.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -82.08 -57.1 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.632 HD21 HD11 ' A' ' 122' ' ' LEU . 16.6 mt -43.52 164.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 63.5 p -107.06 155.98 19.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.719 ' O ' HG23 ' A' ' 88' ' ' VAL . 9.9 ttt85 -49.38 -38.67 29.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.06 -45.18 58.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.061 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 88' ' ' VAL . 30.6 mt-30 -68.26 -64.05 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 86' ' ' GLN . 20.5 p -36.17 -30.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 84' ' ' ARG . 95.4 t -79.24 -54.56 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 97.8 m -47.1 -41.36 17.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.811 ' HA ' HG21 ' A' ' 121' ' ' ILE . 61.2 t -62.21 -54.12 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' HE2' HD21 ' A' ' 95' ' ' LEU . 11.1 tmtt? -54.04 -47.08 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 5.3 mm-40 -49.52 -47.01 49.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -59.48 -56.87 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.577 HD22 HG21 ' A' ' 75' ' ' ILE . 4.4 mp -39.12 -54.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.975 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.496 HD21 ' HE2' ' A' ' 91' ' ' LYS . 4.6 mm? -52.24 -59.14 4.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -41.87 -36.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm100 -72.58 -50.05 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 97' ' ' GLN . . . -35.19 -56.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -38.41 -64.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.5 t -51.45 -39.31 57.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.1 mt -90.65 40.23 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.2 mt -75.88 175.98 8.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.0 t 43.91 26.58 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -153.1 161.45 29.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 96.75 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.78 -31.0 16.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.624 HG21 HD21 ' A' ' 64' ' ' LEU . 49.1 t -41.84 -50.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.671 ' HB2' HD21 ' A' ' 19' ' ' LEU . 18.0 t-80 -74.01 -63.97 1.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 110' ' ' LEU . 26.4 mm-40 -41.23 -62.87 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.442 HD13 HD11 ' A' ' 75' ' ' ILE . 19.1 mt -35.65 -54.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 52.9 t -47.41 -55.2 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.571 HD23 ' OE1' ' A' ' 115' ' ' GLN . 69.5 mt -61.73 -45.88 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -53.42 -52.79 58.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.572 ' CD1' HD12 ' A' ' 121' ' ' ILE . 8.8 tp -69.07 -40.19 80.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.571 ' OE1' HD23 ' A' ' 112' ' ' LEU . 53.5 mt-30 -46.15 -39.23 9.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -97.21 -41.64 8.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -88.83 41.5 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 48' ' ' ALA . 13.8 tp -86.51 -41.84 14.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.3 ptt-85 -66.02 -41.34 91.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -51.0 -57.34 8.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.811 HG21 ' HA ' ' A' ' 90' ' ' VAL . 75.1 mt -57.93 -39.43 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.632 HD11 HD21 ' A' ' 82' ' ' LEU . 14.6 mt -82.15 39.7 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 83.0 p -88.18 -44.66 10.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -51.88 115.12 6.1 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.935 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 89.9 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.641 2.228 . . . . 0.0 112.299 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -83.15 83.36 7.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.2 t -162.24 135.89 6.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.3 p -149.74 121.75 8.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.9 m -156.25 119.1 4.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.9 74.64 1.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.1 t -123.13 43.04 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 0.0 110.884 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -71.41 154.66 41.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.63 76.26 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.4 tpt -101.13 160.14 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.581 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -54.04 166.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.505 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.9 mt-10 -71.72 -60.0 2.72 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.649 0.737 . . . . 0.0 110.894 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.4 Cg_endo -69.75 -51.16 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.672 2.248 . . . . 0.0 112.279 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.581 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 36.1 t -41.98 -50.01 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.185 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -63.0 -50.87 69.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.738 ' O ' HG13 ' A' ' 18' ' ' VAL . 14.5 mt-10 -47.37 -57.23 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 17' ' ' SER . 30.0 tt0 -55.64 -60.07 3.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' GLU . 46.4 mt -34.19 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 15' ' ' GLU . 32.9 t -85.62 -54.52 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.738 HG13 ' O ' ' A' ' 14' ' ' GLU . 1.2 m -51.05 -38.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.765 ' HA ' HD12 ' A' ' 22' ' ' ILE . 12.7 mt -66.67 -58.01 6.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.05 -31.33 51.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.78 -46.2 79.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 19' ' ' LEU . 18.0 mt -48.47 -53.73 5.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -79.6 -32.73 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.6 p 39.05 37.1 0.2 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -139.41 137.57 19.16 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.629 0.728 . . . . 0.0 110.834 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -26.55 27.01 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.615 2.21 . . . . 0.0 112.31 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -81.66 -40.15 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.869 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 44' ' ' ILE . 16.0 mt-10 -73.76 -43.2 59.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.792 ' HA ' HG22 ' A' ' 44' ' ' ILE . 72.0 t-105 -98.43 110.44 23.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -135.77 124.18 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.513 HG21 ' HB3' ' A' ' 34' ' ' ARG . 2.8 p -105.64 97.13 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 27.8 mt -44.39 -54.15 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.8 m -152.78 132.85 13.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.513 ' HB3' HG21 ' A' ' 31' ' ' VAL . 17.3 ptt85 -122.76 121.2 35.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 2.8 m -117.67 163.9 15.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -83.12 -46.42 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.478 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.9 t -108.19 -44.42 4.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.13 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.478 ' N ' HG23 ' A' ' 37' ' ' THR . 5.8 t0 -50.11 -46.83 54.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 138.33 170.52 11.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -119.47 115.49 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.173 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 31' ' ' VAL . 98.6 t -117.4 138.05 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 9.8 p90 -152.7 147.61 26.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.555 ' CB ' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -123.84 119.74 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.792 HG22 ' HA ' ' A' ' 29' ' ' TRP . 2.9 pp -115.75 152.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.8 m170 -92.57 136.57 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.873 HG21 HD12 ' A' ' 60' ' ' LEU . 14.6 t -137.2 145.36 43.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.162 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -120.33 145.39 47.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.493 ' HB2' HD11 ' A' ' 58' ' ' LEU . . . -105.87 -179.7 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.94 -10.88 60.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.54 131.44 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -52.48 -47.44 66.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.3 ptm -102.29 40.36 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.6 t0 58.74 46.7 13.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.67 110.03 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.3 114.85 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.596 HG23 ' HD2' ' A' ' 57' ' ' PRO . 23.2 mm -94.57 136.99 22.7 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.158 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.73 96.8 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.493 HD11 ' HB2' ' A' ' 48' ' ' ALA . 9.7 mt -103.09 163.47 12.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' OE1' HG23 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -137.9 126.11 23.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.873 HD12 HG21 ' A' ' 46' ' ' THR . 6.0 mt -128.5 123.08 32.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.555 HG22 ' CB ' ' A' ' 43' ' ' ARG . 89.7 t -119.86 109.12 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.845 ' CD2' HG13 ' A' ' 107' ' ' VAL . 95.6 m-85 -104.51 140.55 37.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -124.8 123.09 39.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 52.7 mt -105.35 96.6 11.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.602 0.715 . . . . 0.0 110.935 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 53.9 Cg_endo -69.77 -165.53 0.16 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.324 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.6 m -87.41 -29.53 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 70' ' ' SER . 1.0 OUTLIER -75.57 -40.99 55.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.561 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.5 OUTLIER -41.88 145.77 0.68 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.651 0.738 . . . . 0.0 110.94 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.4 Cg_endo -69.77 -13.73 12.44 Favored 'Cis proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 -1.804 . . . . 0.0 112.376 -0.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 69' ' ' PRO . 5.6 t -34.17 -43.44 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.64 173.47 6.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 22.2 mt -90.29 131.33 38.88 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.63 0.728 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 140.12 41.76 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.712 2.275 . . . . 0.0 112.334 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.84 112.48 4.11 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.502 HG12 ' CD1' ' A' ' 62' ' ' PHE . 55.0 mt -110.61 141.59 25.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.827 0.346 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -137.73 138.08 38.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 60' ' ' LEU . 23.9 mm -129.0 121.91 55.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -156.95 119.76 4.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.3 t -126.21 140.69 52.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -49.52 -26.58 3.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -89.98 -61.42 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.473 HD22 ' HB3' ' A' ' 86' ' ' GLN . 31.3 mt -38.92 152.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.6 p -102.84 155.45 18.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.725 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -42.74 -45.59 4.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.1 97.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.498 ' O ' ' N ' ' A' ' 88' ' ' VAL . 92.0 mt-30 -72.55 -64.09 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 86' ' ' GLN . 12.8 p -35.98 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 84' ' ' ARG . 95.0 t -80.55 -51.29 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 59.8 m -49.71 -47.96 50.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.9 t -57.69 -54.14 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -56.58 -58.62 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 18.6 mm-40 -40.13 -55.66 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -52.06 -57.4 9.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.2 mt -45.86 -49.51 15.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.412 HD21 ' HB ' ' A' ' 75' ' ' ILE . 4.5 mm? -56.46 -50.77 70.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -52.69 -47.83 66.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 98' ' ' ALA . 8.3 mm-40 -62.6 -48.72 78.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.757 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -36.53 -59.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 98' ' ' ALA . 8.7 mt-10 -36.73 -65.57 0.28 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.6 m -48.02 -31.54 5.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 98' ' ' ALA . 10.6 mt -96.03 36.23 1.34 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.401 ' O ' ' OE2' ' A' ' 104' ' ' GLU . 8.6 mt -70.65 159.79 33.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.7 m 57.44 44.96 20.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 101' ' ' LEU . 2.9 pt-20 -173.48 156.76 2.87 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 87.33 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.732 2.288 . . . . 0.0 112.358 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.757 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 22.5 ptp -80.08 -40.89 26.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.845 HG13 ' CD2' ' A' ' 62' ' ' PHE . 59.4 t -33.61 -55.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 -64.4 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -39.41 -59.9 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 7.4 mt -44.84 -58.52 3.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 107' ' ' VAL . 92.5 t -39.81 -44.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.7 mt -75.66 -43.44 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 45.9 t90 -54.99 -52.68 62.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.798 HD12 HD12 ' A' ' 121' ' ' ILE . 7.5 tp -66.66 -44.02 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.484 ' N ' HG23 ' A' ' 114' ' ' ILE . 43.4 mt-30 -45.19 -44.42 10.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -88.12 -46.16 9.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.48 38.16 0.86 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.764 ' O ' HD13 ' A' ' 118' ' ' LEU . 0.9 OUTLIER -72.53 -39.86 67.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.959 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -84.43 -41.18 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -51.41 -33.82 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.798 HD12 HD12 ' A' ' 114' ' ' ILE . 96.5 mt -75.09 -48.73 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.127 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.449 ' O ' ' C ' ' A' ' 123' ' ' SER . 10.0 mp -66.82 -60.32 2.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' LEU . 38.1 m -34.24 -56.41 0.5 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -65.67 143.67 98.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 170.03 17.6 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.309 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -118.98 162.9 17.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.4 m -83.39 127.8 33.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.488 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -87.17 94.08 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 t -59.94 -46.2 90.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.99 -94.73 0.7 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.521 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -170.18 157.85 6.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.877 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -121.97 99.43 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.77 68.38 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.489 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mmt -139.11 167.57 21.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.928 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -124.89 135.72 53.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.077 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.649 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.4 mt-10 -61.41 -51.96 73.75 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.7 Cg_endo -69.73 -21.65 33.33 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.928 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 38.8 t -83.56 -38.41 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -78.94 -55.07 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' O ' HG12 ' A' ' 18' ' ' VAL . 9.4 pt-20 -47.26 -31.16 3.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HA ' HG12 ' A' ' 18' ' ' VAL . 11.6 tt0 -74.35 -47.62 33.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.505 HD21 HG21 ' A' ' 40' ' ' THR . 84.7 mt -60.63 -28.78 68.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.7 m -87.2 -65.12 1.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' ' 14' ' ' GLU . 7.2 p -40.63 -29.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.126 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.9 mt -83.12 -48.85 10.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.5 -26.28 0.84 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.083 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -57.45 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.98 -45.94 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -82.59 -4.18 57.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.7 t -39.12 -31.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.5 mtt180 -43.28 154.31 0.33 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.664 0.745 . . . . 0.0 110.825 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 128.87 16.64 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.694 2.262 . . . . 0.0 112.324 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' CD2' ' N ' ' A' ' 27' ' ' HIS . 7.2 m170 65.37 41.11 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' HG22 ' A' ' 44' ' ' ILE . 6.8 mm-40 -131.0 -32.24 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.512 ' HA ' HG22 ' A' ' 44' ' ' ILE . 53.2 t-105 -105.52 104.12 13.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -126.07 106.96 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.848 HG23 ' HB3' ' A' ' 42' ' ' PHE . 4.1 p -104.96 103.09 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 39.5 mt -40.67 -57.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.2 m -156.36 152.2 27.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.57 111.49 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 46.5 m -121.97 164.97 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -83.72 -50.38 8.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.462 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -105.35 -39.6 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.142 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 35' ' ' SER . 1.0 OUTLIER -59.34 -14.28 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.9 168.43 28.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.505 HG21 HD21 ' A' ' 16' ' ' LEU . 28.4 m -124.57 125.33 44.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.36 . . . . 0.0 111.158 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.2 t -130.77 129.52 63.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.848 ' HB3' HG23 ' A' ' 31' ' ' VAL . 5.8 p90 -147.4 160.48 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -139.74 132.08 28.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 44' ' ' ILE . 2.3 pp -129.3 146.21 34.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -89.48 123.83 33.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.583 HG21 HD12 ' A' ' 60' ' ' LEU . 12.7 t -129.33 152.57 48.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.9 pttt -127.08 132.74 50.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -100.85 177.71 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.078 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -60.34 -9.8 3.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.609 ' HA2' HD12 ' A' ' 56' ' ' ILE . . . 51.97 -126.54 30.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.489 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.514 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 27.3 m-85 -148.99 116.84 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.4 ttm 73.12 52.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.9 t70 53.39 29.75 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.59 101.54 9.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -54.38 135.72 44.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.609 HD12 ' HA2' ' A' ' 50' ' ' GLY . 67.5 mt -118.22 132.39 23.77 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.6 Cg_endo -69.76 116.91 4.78 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.339 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.45 HD11 ' CD1' ' A' ' 118' ' ' LEU . 25.6 mt -117.52 132.48 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.962 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -110.8 100.63 9.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.583 HD12 HG21 ' A' ' 46' ' ' THR . 9.6 mt -102.64 118.46 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.4 t -113.5 105.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.891 ' CD2' HG13 ' A' ' 107' ' ' VAL . 55.2 m-85 -96.78 126.93 42.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -117.21 115.57 25.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.4 mt -94.07 105.78 19.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.729 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -166.42 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.292 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 37' ' ' THR . 5.6 m -97.71 -9.9 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.5 m-20 -94.54 -37.43 11.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.638 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -41.92 149.81 0.4 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 0.0 110.951 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.71 -14.91 12.44 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.339 -0.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' PRO . 14.6 t -34.4 -46.62 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 t -106.71 167.36 9.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.464 HD13 ' OE1' ' A' ' 99' ' ' GLU . 22.0 mt -85.56 138.08 36.06 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.595 0.712 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 155.66 65.42 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.679 2.253 . . . . 0.0 112.313 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.67 106.32 2.42 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.49 ' HB ' HD21 ' A' ' 95' ' ' LEU . 31.8 mt -104.47 141.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 t -142.85 121.37 12.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mm -110.69 118.07 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -148.55 120.0 7.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 t -125.87 148.62 49.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.815 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -64.9 -26.57 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -87.71 -58.17 2.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.7 140.12 19.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 40.4 p -84.12 156.44 22.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.609 ' O ' HG23 ' A' ' 88' ' ' VAL . 18.9 ttp-105 -43.07 -41.2 3.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.95 -36.42 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -74.98 -64.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 1.3 p -39.92 -29.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 84' ' ' ARG . 41.6 t -75.27 -52.64 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.4 m -47.09 -57.72 4.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -46.49 -65.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 12.6 tmtt? -45.25 -50.34 11.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.457 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 13.3 mt-10 -51.35 -33.96 31.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -73.61 -54.49 8.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.64 -52.4 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.49 HD21 ' HB ' ' A' ' 75' ' ' ILE . 4.4 mm? -51.59 -52.42 47.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -50.23 -44.2 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -62.83 -51.15 68.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.65 -48.35 4.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.464 ' OE1' HD13 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -42.66 -58.93 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.8 t -64.7 -30.25 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.8 mt -92.7 34.91 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.12 176.22 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 44.17 31.37 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.825 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -162.26 160.47 21.06 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.682 0.753 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 105.96 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.726 2.284 . . . . 0.0 112.374 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -100.17 -24.61 14.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.891 HG13 ' CD2' ' A' ' 62' ' ' PHE . 92.6 t -44.55 -46.39 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -76.42 -65.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -37.9 -53.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 114' ' ' ILE . 45.1 mt -48.51 -46.36 38.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.499 HG22 HD13 ' A' ' 60' ' ' LEU . 39.3 t -58.83 -68.37 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.6 mt -53.01 -24.65 10.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.444 ' O ' ' CG ' ' A' ' 117' ' ' ASN . 46.6 t90 -69.77 -67.54 0.48 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.693 ' CD1' HD12 ' A' ' 121' ' ' ILE . 3.2 tp -60.89 -51.72 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.611 ' N ' HG23 ' A' ' 114' ' ' ILE . 16.4 mm100 -47.42 -24.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -98.1 -38.55 9.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.444 ' CG ' ' O ' ' A' ' 113' ' ' TRP . 0.9 OUTLIER -119.59 55.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.508 ' CD2' HD12 ' A' ' 122' ' ' LEU . 6.1 tt -82.52 -43.98 16.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.892 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -55.94 -42.89 76.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -45.56 -57.55 4.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.815 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.693 HD12 ' CD1' ' A' ' 114' ' ' ILE . 96.6 mt -58.55 -43.72 87.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.508 HD12 ' CD2' ' A' ' 118' ' ' LEU . 20.6 mt -83.67 35.55 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 4.6 t -99.32 -45.1 5.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -89.99 143.91 30.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.6 17.86 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.257 . . . . 0.0 112.311 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -124.64 121.14 33.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.8 t -158.05 151.08 22.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.146 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.533 179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.8 p -155.96 168.14 28.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.2 p -155.89 173.2 17.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.0 105.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.4 p -146.6 148.29 31.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.846 0.355 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -47.16 173.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.41 118.36 2.89 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mmt -95.92 150.37 20.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.437 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -61.54 136.2 57.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.624 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 1.6 mt-10 -37.95 -53.26 2.77 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.85 -50.89 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.671 2.247 . . . . 0.0 112.339 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.847 HG23 ' CE1' ' A' ' 68' ' ' TYR . 10.3 t -43.9 -22.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' PRO . 8.6 tt0 -88.02 -55.69 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.1 pt-20 -57.65 -32.29 67.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -47.38 81.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 mt -58.21 -42.73 86.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 62.1 p -75.05 -63.45 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 14' ' ' GLU . 72.0 t -44.62 -55.41 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.079 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.592 HD22 ' HE2' ' A' ' 23' ' ' PHE . 58.9 mt -49.93 -33.55 17.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 17' ' ' SER . . . -64.02 -29.41 70.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.95 -45.38 74.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt -70.72 -41.35 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.592 ' HE2' HD22 ' A' ' 19' ' ' LEU . 23.8 m-85 -92.6 -0.25 57.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' ALA . 6.8 t -35.12 -32.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 23' ' ' PHE . 13.8 mmm180 -36.72 150.22 0.14 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.615 0.721 . . . . 0.0 110.882 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 129.8 18.29 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 62.2 43.4 8.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -132.45 -32.76 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.665 ' CE3' HG21 ' A' ' 44' ' ' ILE . 33.3 t-105 -103.03 118.24 36.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -138.95 137.72 36.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG13 ' HB3' ' A' ' 42' ' ' PHE . 94.7 t -115.9 96.87 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 51.2 mt -38.03 -67.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 t -163.02 157.48 20.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -130.16 113.47 14.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . 2.6 m -100.03 159.8 14.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.835 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -85.55 -44.96 12.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 38' ' ' ASP . 9.2 t -97.83 -49.37 4.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.57 ' N ' HG23 ' A' ' 37' ' ' THR . 6.3 m-20 -55.84 -37.27 68.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.853 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 122.42 178.86 15.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.485 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 48.0 m -97.5 129.82 44.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.347 . . . . 0.0 111.131 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.92 144.33 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.476 ' HB3' HG13 ' A' ' 31' ' ' VAL . 51.0 p90 -163.68 146.32 9.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.493 ' HG3' HG22 ' A' ' 61' ' ' VAL . 34.5 ttm180 -123.53 118.89 28.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.857 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.665 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.7 pp -124.26 151.26 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.579 ' CD2' ' O ' ' A' ' 58' ' ' LEU . 3.9 t-80 -104.07 130.1 51.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -124.29 163.58 21.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 12.3 pttp -131.29 124.61 30.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' N ' HE22 ' A' ' 115' ' ' GLN . . . -102.04 159.6 15.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -58.69 85.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' GLU . . . -34.18 144.64 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.441 ' CZ ' ' HA ' ' A' ' 119' ' ' ARG . 12.0 m-85 -52.58 -18.22 1.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.9 ptp -120.88 34.36 5.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 55.73 53.16 9.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -148.91 119.79 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.52 134.14 1.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.653 HG23 ' HD2' ' A' ' 57' ' ' PRO . 30.4 mt -121.08 138.52 27.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.579 0.704 . . . . 0.0 111.169 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.653 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.7 Cg_endo -69.81 117.14 4.91 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.715 2.276 . . . . 0.0 112.326 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.579 ' O ' ' CD2' ' A' ' 45' ' ' HIS . 8.5 mt -128.95 133.58 47.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.487 ' OE2' ' CG2' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -111.32 114.22 27.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 7.0 mt -116.45 128.52 55.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.493 HG22 ' HG3' ' A' ' 43' ' ' ARG . 20.9 t -127.06 101.16 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.859 ' CG ' HG13 ' A' ' 107' ' ' VAL . 84.3 m-85 -93.23 145.21 24.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -127.34 111.43 13.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.934 HD21 HG21 ' A' ' 107' ' ' VAL . 12.6 mt -102.91 96.5 7.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.635 0.731 . . . . 0.0 110.907 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -168.33 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.635 2.223 . . . . 0.0 112.369 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.5 m -86.94 -17.03 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.434 ' O ' ' CB ' ' A' ' 70' ' ' SER . 29.7 m-20 -80.7 -44.47 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.847 ' CE1' HG23 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -47.36 149.22 1.96 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.613 0.721 . . . . 0.0 110.951 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.7 -14.88 12.42 Favored 'Cis proline' 0 C--N 1.341 0.136 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.344 -0.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 69' ' ' PRO . 1.4 t -34.38 -45.81 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 98.0 m -112.96 154.4 26.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.78 137.83 87.94 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.588 0.708 . . . . 0.0 110.957 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 175.39 8.14 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.35 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.2 84.21 0.4 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.444 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.636 HG21 HD13 ' A' ' 94' ' ' LEU . 24.6 mt -73.43 143.55 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 t -137.3 121.38 17.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.415 HD11 ' CD1' ' A' ' 94' ' ' LEU . 42.8 mm -116.74 117.7 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.66 119.97 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.733 ' HB3' HD12 ' A' ' 82' ' ' LEU . 1.8 t -126.03 139.19 53.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.42 -25.83 68.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -88.96 -52.26 5.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.945 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' A' ' 79' ' ' SER . 18.7 mt -61.64 149.03 40.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.6 p -86.16 -178.65 6.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 88' ' ' VAL . 9.9 ttm180 -66.24 -55.74 14.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.68 -39.32 36.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -68.59 -63.77 0.99 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.497 ' SG ' ' N ' ' A' ' 88' ' ' VAL . 1.4 p -45.63 -44.56 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 84' ' ' ARG . 89.3 t -60.51 -43.61 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 91.4 m -58.76 -48.54 80.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 84.1 t -54.95 -60.4 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.502 ' O ' HD23 ' A' ' 95' ' ' LEU . 20.0 tttt -47.66 -58.8 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -46.41 -43.78 16.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.4 mmtt -63.38 -59.93 4.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.636 HD13 HG21 ' A' ' 75' ' ' ILE . 24.1 mt -40.6 -44.3 2.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 91' ' ' LYS . 4.3 mm? -51.22 -64.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -40.59 -57.6 1.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -56.89 -41.2 77.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -48.3 -57.69 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 102' ' ' LEU . 30.6 mt-10 -39.98 -68.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 26.4 t -45.51 -32.63 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 mt -92.5 30.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 104' ' ' GLU . 3.1 mt -66.84 173.68 3.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.448 ' HA ' ' CG ' ' A' ' 69' ' ' PRO . 7.1 m 40.73 25.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 102' ' ' LEU . 4.3 mt-10 -150.06 161.44 31.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.733 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 114.09 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.669 2.246 . . . . 0.0 112.38 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.431 ' HB2' ' CD1' ' A' ' 110' ' ' LEU . 16.9 ptp -111.74 -45.53 3.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.934 HG21 HD21 ' A' ' 64' ' ' LEU . 38.6 t -35.27 -44.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -74.88 -65.39 0.88 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 110' ' ' LEU . 21.0 mm-40 -46.23 -60.96 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.431 ' CD1' ' HB2' ' A' ' 106' ' ' MET . 53.9 mt -35.21 -56.19 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 107' ' ' VAL . 66.6 t -48.68 -58.47 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.164 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.8 mp -58.53 -32.46 68.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.51 ' CH2' HD11 ' A' ' 121' ' ' ILE . 61.4 t90 -68.02 -45.79 73.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.481 HD12 HD12 ' A' ' 121' ' ' ILE . 8.0 tp -74.93 -31.7 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.411 HE22 ' N ' ' A' ' 48' ' ' ALA . 4.2 mm100 -65.15 -27.72 68.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -101.82 -39.78 7.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -97.32 39.16 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 15.9 tp -73.12 -52.63 13.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.445 ' CZ ' ' HB2' ' A' ' 119' ' ' ARG . 3.9 ptm85 -64.36 -40.97 96.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -55.05 -44.85 75.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.824 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.51 HD11 ' CH2' ' A' ' 113' ' ' TRP . 77.7 mt -74.45 -41.92 49.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.076 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 mp -84.18 36.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 22.7 t -112.68 60.61 0.63 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -129.5 143.57 49.44 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.622 0.725 . . . . 0.0 110.912 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 97.86 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.367 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -104.76 149.33 25.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 29.3 m -140.45 109.96 6.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.468 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -57.32 93.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.882 0.373 . . . . 0.0 110.839 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -130.83 156.88 44.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.818 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.61 -107.3 1.51 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 p -144.68 166.93 23.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -105.3 -49.35 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.88 70.69 0.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.1 mmt -142.02 175.01 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.748 0.309 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.74 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . . . -61.06 171.07 1.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.495 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 5.5 mt-10 -65.99 -60.06 7.78 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.691 0.758 . . . . 0.0 110.869 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.518 ' HA ' ' CG ' ' A' ' 14' ' ' GLU . 54.1 Cg_endo -69.74 -24.36 29.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.74 ' CG2' ' HB3' ' A' ' 9' ' ' ALA . 22.7 t -78.12 -21.62 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -90.28 -47.68 7.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 1.033 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.1 pp20? -51.82 -40.06 59.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.458 ' O ' ' C ' ' A' ' 16' ' ' LEU . 14.9 tt0 -60.19 -68.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 15' ' ' GLU . 75.6 mt -33.73 -38.04 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 15' ' ' GLU . 16.3 t -79.81 -51.09 9.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 1.033 HG23 ' O ' ' A' ' 14' ' ' GLU . 46.4 t -51.67 -34.59 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 mt -64.16 -44.85 90.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.61 -22.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.11 -50.95 6.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.569 ' CD1' ' CD2' ' A' ' 108' ' ' HIS . 73.0 mt -43.93 -45.06 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -85.66 -51.62 6.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 42.9 t 39.03 34.59 0.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -104.06 147.32 34.13 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.644 0.735 . . . . 0.0 110.818 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.48 7.26 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 35.0 m-70 60.9 33.77 19.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -112.59 -18.45 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.719 ' CE3' HG21 ' A' ' 44' ' ' ILE . 33.1 t-105 -113.29 110.12 19.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -127.52 132.64 49.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.586 HG11 ' HD2' ' A' ' 34' ' ' ARG . 38.9 t -117.36 102.58 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.152 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.6 mt -42.0 -64.09 0.64 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -161.45 154.57 21.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.586 ' HD2' HG11 ' A' ' 31' ' ' VAL . 26.9 mtp180 -127.16 110.09 12.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.45 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . 35.6 m -121.9 151.48 40.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -81.03 -65.4 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 38' ' ' ASP . 7.8 t -67.91 -49.95 58.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.554 ' N ' HG23 ' A' ' 37' ' ' THR . 2.5 t70 -64.03 -32.06 73.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.93 165.75 17.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.415 HG23 ' HG2' ' A' ' 34' ' ' ARG . 28.8 m -97.16 126.4 42.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 111.176 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.69 146.41 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -162.83 161.58 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.548 ' NH1' HG21 ' A' ' 61' ' ' VAL . 12.2 ttt85 -139.93 110.91 6.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.719 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.4 pp -112.14 150.2 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -96.07 130.24 43.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.525 ' CG2' HD23 ' A' ' 58' ' ' LEU . 1.4 t -132.92 158.15 43.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -130.55 134.19 46.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -98.81 -177.3 3.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.071 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -65.73 -6.1 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.54 -160.73 53.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -112.3 -52.5 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.342 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 24.8 ptm -99.11 39.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.2 t0 64.26 42.18 5.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.44 118.48 12.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -47.09 127.49 10.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.858 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.673 HG23 ' HD2' ' A' ' 57' ' ' PRO . 47.9 mm -108.94 138.66 20.41 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.644 0.735 . . . . 0.0 111.135 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.4 Cg_endo -69.79 95.64 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.525 HD23 ' CG2' ' A' ' 46' ' ' THR . 59.0 tp -99.71 141.27 32.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -122.9 124.7 43.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mt -123.81 125.73 45.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.548 HG21 ' NH1' ' A' ' 43' ' ' ARG . 53.2 t -116.13 104.45 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.7 ' CD2' HG13 ' A' ' 107' ' ' VAL . 61.8 m-85 -97.28 150.48 20.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -136.47 120.44 17.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.833 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD21 HG21 ' A' ' 107' ' ' VAL . 6.4 mt -104.17 96.6 9.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 64' ' ' LEU . 54.0 Cg_endo -69.76 -164.8 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.703 2.269 . . . . 0.0 112.372 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 67' ' ' ASN . 32.4 m -85.33 -39.99 14.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 70' ' ' SER . 6.5 m120 -67.62 -41.41 84.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.649 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -44.69 150.12 0.73 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.692 0.758 . . . . 0.0 110.917 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.551 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 53.5 Cg_endo -69.73 -8.48 10.47 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.363 -0.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' A' ' 67' ' ' ASN . 3.1 t -37.53 -46.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.84 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.6 t -107.32 162.54 13.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' A' ' 98' ' ' ALA . 4.3 mm? -70.44 133.95 86.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.613 0.721 . . . . 0.0 110.925 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 157.65 59.73 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.376 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.32 91.52 1.54 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.0 mt -94.19 143.86 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -138.76 143.87 39.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.1 mm -128.14 113.1 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -156.74 119.98 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 p -125.99 155.41 41.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -61.83 -13.49 24.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 82' ' ' LEU . 7.5 mt-30 -103.4 -73.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 81' ' ' GLN . 68.6 mt -37.42 153.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.5 p -100.84 -179.61 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.104 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.6 tpp85 -58.07 -58.38 8.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -51.72 -61.32 2.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -43.06 -47.34 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 45.4 m -55.99 -56.91 15.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 62.7 t -40.47 -44.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.139 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 99.8 m -64.57 -66.03 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.507 ' O ' HD12 ' A' ' 94' ' ' LEU . 92.0 t -39.9 -52.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.184 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.482 ' HG2' HD23 ' A' ' 95' ' ' LEU . 44.4 tttt -60.97 -57.93 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -45.13 -24.74 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -85.38 -32.41 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 90' ' ' VAL . 4.1 mp -71.3 -35.99 71.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.482 HD23 ' HG2' ' A' ' 91' ' ' LYS . 4.3 mm? -66.52 -53.18 37.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.423 ' HG3' ' NE2' ' A' ' 97' ' ' GLN . 6.5 pt-20 -52.55 -37.44 57.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' NE2' ' HG3' ' A' ' 96' ' ' GLU . 1.9 mp0 -71.63 -43.83 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.692 ' HB1' ' SD ' ' A' ' 106' ' ' MET . . . -45.18 -53.42 8.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -40.15 -64.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.1 t -51.34 -34.4 33.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.3 mt -89.55 25.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 104' ' ' GLU . 5.4 mt -62.05 171.11 1.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.9 t 40.89 25.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 102' ' ' LEU . 10.4 mt-10 -147.09 159.44 42.71 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.611 0.719 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.431 ' CB ' ' OE2' ' A' ' 15' ' ' GLU . 53.7 Cg_endo -69.76 82.88 0.72 Allowed 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.692 ' SD ' ' HB1' ' A' ' 98' ' ' ALA . 20.7 ptp -81.51 -23.94 37.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.855 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.7 HG13 ' CD2' ' A' ' 62' ' ' PHE . 66.0 t -52.77 -49.45 46.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.569 ' CD2' ' CD1' ' A' ' 22' ' ' ILE . 6.8 t-80 -71.85 -63.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -42.15 -59.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 44.9 mt -39.33 -50.65 2.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 107' ' ' VAL . 80.6 t -52.64 -43.99 45.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.132 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -80.92 -10.69 59.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.663 ' CH2' HD11 ' A' ' 121' ' ' ILE . 47.6 t90 -81.57 -58.58 2.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.499 HG23 ' N ' ' A' ' 115' ' ' GLN . 6.4 tp -60.54 -46.47 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.093 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.499 ' N ' HG23 ' A' ' 114' ' ' ILE . 41.7 mt-30 -37.84 -39.67 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -97.65 -38.62 9.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.469 ' O ' HD12 ' A' ' 121' ' ' ILE . 15.0 m-80 -93.24 44.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 118' ' ' LEU . 7.3 tt -97.3 -34.43 11.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -90.18 -52.42 4.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -45.4 -38.51 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.663 HD11 ' CH2' ' A' ' 113' ' ' TRP . 67.0 mt -67.85 -47.44 79.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 16.5 mt -85.05 30.91 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.3 t -49.15 -50.44 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -97.62 144.43 27.95 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.583 0.706 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 144.93 55.64 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -109.47 128.59 55.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 61.1 m -63.77 -53.48 50.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 3' ' ' SER . 7.4 t -126.6 140.64 52.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.886 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 2' ' ' SER . 16.2 t -36.86 141.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.12 -71.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.476 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 38.9 m -57.39 -51.34 69.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.873 -179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 20.4 m -37.24 146.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.885 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.61 -92.44 0.52 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.5 ttp -133.44 -68.12 0.59 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.794 0.33 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.631 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -146.72 132.92 19.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.57 ' N ' ' HD2' ' A' ' 11' ' ' PRO . 2.8 mm-40 -73.32 -56.42 3.2 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.63 0.729 . . . . 0.0 110.906 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.57 ' HD2' ' N ' ' A' ' 10' ' ' GLU . 53.6 Cg_endo -69.75 -50.93 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.369 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.631 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 40.1 t -52.07 -56.73 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.485 ' HG3' ' N ' ' A' ' 14' ' ' GLU . 8.3 pt20 -52.47 -37.36 56.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' O ' HG23 ' A' ' 18' ' ' VAL . 46.3 mt-10 -65.01 -48.11 75.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.581 ' OE1' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -60.63 -52.24 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.3 mt -55.19 -42.68 73.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.1 t -68.35 -64.36 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 14' ' ' GLU . 73.1 t -39.66 -50.82 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.692 HD22 ' HE2' ' A' ' 23' ' ' PHE . 18.5 mt -63.39 -44.68 94.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.962 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 24' ' ' CYS . . . -52.07 -29.17 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.73 -51.17 68.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.5 mt -65.54 -53.76 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.692 ' HE2' HD22 ' A' ' 19' ' ' LEU . 49.5 m-85 -76.19 -3.6 37.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' ALA . 38.9 t -37.46 -32.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' PHE . 22.1 mmt85 -37.68 147.57 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.612 0.72 . . . . 0.0 110.85 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 129.08 16.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.24 . . . . 0.0 112.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 69.36 38.2 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -132.3 -41.34 0.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.844 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.722 ' CE3' HG21 ' A' ' 44' ' ' ILE . 60.8 t-105 -97.86 130.71 44.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -145.94 136.86 24.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 75.3 t -123.89 99.09 6.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.08 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 HD12 HG12 ' A' ' 41' ' ' VAL . 55.8 mt -41.71 -69.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.953 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -139.23 150.39 45.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' HA ' HG23 ' A' ' 40' ' ' THR . 32.3 ptt85 -142.01 118.12 10.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -117.91 163.82 15.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.601 ' O ' HG22 ' A' ' 37' ' ' THR . 23.6 tt0 -65.53 83.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.855 ' O ' HG12 ' A' ' 66' ' ' VAL . 15.3 t 46.23 38.47 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' HA ' ' CG1' ' A' ' 66' ' ' VAL . 6.0 t0 -112.95 -30.61 6.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.84 74.84 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.546 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 34' ' ' ARG . 94.6 m -89.12 132.09 34.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.359 . . . . 0.0 111.166 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG12 HD12 ' A' ' 32' ' ' LEU . 99.2 t -131.43 129.31 62.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.15 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -142.46 143.41 32.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.712 ' HB2' HG22 ' A' ' 61' ' ' VAL . 27.5 ptt180 -131.95 114.16 14.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.722 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.5 pp -102.46 143.63 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 8.5 t-80 -84.84 111.22 19.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.423 ' HB ' ' CD1' ' A' ' 44' ' ' ILE . 5.8 t -127.19 165.03 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 49.8 mttt -133.7 149.88 51.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.476 ' CB ' HD13 ' A' ' 118' ' ' LEU . . . -105.86 -174.94 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -53.84 -15.03 1.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.605 ' O ' ' CD1' ' A' ' 51' ' ' PHE . . . 67.06 -125.19 24.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 50' ' ' GLY . 14.7 m-85 -157.65 128.7 6.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.832 0.348 . . . . 0.0 110.861 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.527 ' CG ' ' O ' ' A' ' 51' ' ' PHE . 24.4 ptm 47.45 51.18 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 62.52 47.84 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 51' ' ' PHE . . . -135.01 85.86 2.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.42 126.98 5.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.681 HG23 ' HD2' ' A' ' 57' ' ' PRO . 68.8 mt -112.21 138.68 21.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.644 0.735 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.681 ' HD2' HG23 ' A' ' 56' ' ' ILE . 54.1 Cg_endo -69.72 145.52 57.63 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.1 tp -151.46 136.67 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -120.18 100.79 7.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.819 HD13 HG22 ' A' ' 111' ' ' VAL . 5.5 mt -91.97 115.87 28.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.712 HG22 ' HB2' ' A' ' 43' ' ' ARG . 19.0 t -108.05 102.98 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.795 ' CD2' HG13 ' A' ' 107' ' ' VAL . 87.2 m-85 -98.48 128.06 44.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -107.68 119.81 40.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.604 HD13 HG13 ' A' ' 12' ' ' VAL . 41.9 mt -100.35 99.66 10.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.638 0.732 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -164.27 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.367 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.855 HG12 ' O ' ' A' ' 37' ' ' THR . 34.9 m -94.81 -28.75 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.8 m-80 -76.19 -40.87 51.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.655 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -40.01 150.02 0.27 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.674 0.75 . . . . 0.0 110.943 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.1 Cg_endo -69.77 -7.82 10.2 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.712 -1.787 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 23.4 t -38.73 -46.71 1.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 t -103.81 172.71 6.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 21.7 mt -85.97 135.46 37.45 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.567 0.699 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 139.92 41.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -66.11 100.4 0.51 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.515 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.37 133.41 36.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 46.6 t -136.15 128.93 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.466 HD11 ' CD1' ' A' ' 94' ' ' LEU . 43.4 mm -112.25 130.58 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -155.15 119.8 4.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.8 t -126.12 153.11 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -69.57 -23.5 63.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -96.71 -62.19 1.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.915 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.9 mt -50.33 146.31 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.7 p -95.25 -178.89 4.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -55.52 -36.65 66.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.32 60.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.467 ' HG3' ' CD2' ' A' ' 122' ' ' LEU . 0.2 OUTLIER -65.24 -26.16 67.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 76.9 m -87.59 -57.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.4 p -42.9 -34.61 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 90' ' ' VAL . 97.8 m -72.84 -69.74 0.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.621 HG13 HD13 ' A' ' 114' ' ' ILE . 85.7 t -37.12 -39.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.132 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.591 ' HA ' HD12 ' A' ' 94' ' ' LEU . 20.8 tttt -69.92 -65.72 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -44.37 -43.08 7.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -60.83 -46.76 89.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.591 HD12 ' HA ' ' A' ' 91' ' ' LYS . 11.0 mt -54.33 -44.51 72.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.62 -45.87 48.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -56.5 -53.01 62.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.545 ' OE1' ' CD2' ' A' ' 113' ' ' TRP . 23.1 mt-30 -57.45 -48.6 78.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -43.13 -61.42 1.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 8.2 t -55.09 -33.32 62.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.9 mt -96.55 39.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 104' ' ' GLU . 11.8 mt -74.58 178.95 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 102' ' ' LEU . 7.5 t 37.76 29.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' LEU . 6.0 mm-40 -154.92 160.62 30.74 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.636 0.732 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 96.3 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.424 ' HG2' ' N ' ' A' ' 107' ' ' VAL . 0.0 OUTLIER -93.45 -32.61 14.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.85 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.795 HG13 ' CD2' ' A' ' 62' ' ' PHE . 61.2 t -38.47 -51.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 109' ' ' GLU . 19.8 t-80 -71.51 -64.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 108' ' ' HIS . 14.2 mm-40 -36.09 -55.96 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 113' ' ' TRP . 14.9 mt -48.21 -62.62 1.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.819 HG22 HD13 ' A' ' 60' ' ' LEU . 71.7 t -35.84 -47.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.469 HD23 ' OE1' ' A' ' 115' ' ' GLN . 79.8 mt -72.52 -40.98 66.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.545 ' CD2' ' OE1' ' A' ' 97' ' ' GLN . 67.7 t90 -57.38 -51.56 68.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.621 HD13 HG13 ' A' ' 90' ' ' VAL . 6.5 tp -69.37 -47.82 70.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.519 ' N ' HG23 ' A' ' 114' ' ' ILE . 44.4 mt-30 -39.82 -35.98 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.95 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -99.64 -44.26 6.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -86.84 37.52 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.476 HD13 ' CB ' ' A' ' 48' ' ' ALA . 2.4 tt -85.38 -40.59 16.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 10.7 ttt85 -79.18 -41.45 28.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -50.18 -35.17 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 96.1 mt -73.25 -51.9 24.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.467 ' CD2' ' HG3' ' A' ' 86' ' ' GLN . 8.0 mt -59.2 -55.58 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 122' ' ' LEU . 52.2 m -34.52 -47.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -48.94 133.13 14.82 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 84.93 0.63 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.671 2.247 . . . . 0.0 112.338 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -113.63 118.72 35.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 77.3 p -132.04 102.01 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.508 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -68.84 92.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.836 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 t -111.4 128.17 55.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.97 -139.03 4.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.492 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -139.96 161.99 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.884 0.373 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p 43.48 43.1 4.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.82 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.76 169.75 52.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 30.8 ttp -68.19 -64.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' A' ' 12' ' ' VAL . . . -161.19 159.15 28.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.115 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.605 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 9.8 mt-10 -87.91 -68.85 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.738 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.605 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.6 Cg_endo -69.72 -49.11 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.71 2.274 . . . . 0.0 112.338 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 9' ' ' ALA . 95.5 t -49.65 -49.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -63.15 -51.65 65.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -52.97 -61.0 2.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' O ' HD12 ' A' ' 19' ' ' LEU . 11.6 tp10 -39.91 -48.2 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.563 HD21 HG21 ' A' ' 40' ' ' THR . 44.7 mt -62.2 -49.51 75.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.1 t -59.14 -63.09 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -39.03 -51.27 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 15' ' ' GLU . 10.7 mt -65.74 -55.19 18.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -43.93 -22.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 19' ' ' LEU . . . -80.31 -48.28 13.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.109 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mt -55.54 -53.96 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.448 ' CB ' ' HB2' ' A' ' 29' ' ' TRP . 80.5 m-85 -72.81 -50.34 24.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.437 ' C ' ' O ' ' A' ' 23' ' ' PHE . 21.4 p 35.47 40.19 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.1 mmt-85 -141.37 131.31 12.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.59 0.71 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -2.8 10.75 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.685 2.257 . . . . 0.0 112.324 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -108.74 -36.38 6.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -82.77 -50.99 8.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.497 ' CE3' HG21 ' A' ' 44' ' ' ILE . 44.1 t-105 -98.05 110.7 23.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -134.16 131.84 39.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 41' ' ' VAL . 2.8 p -113.68 126.52 71.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.189 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.3 mt -70.32 -59.34 2.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -158.96 133.66 8.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.647 ' CB ' HG23 ' A' ' 40' ' ' THR . 0.7 OUTLIER -140.25 132.64 28.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.442 ' HB3' ' CB ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -119.32 161.58 20.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.836 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.3 -41.23 72.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' GLY . 3.9 t -127.97 -44.38 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' CB ' ' HB3' ' A' ' 35' ' ' SER . 2.7 t70 -36.65 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.837 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 37' ' ' THR . . . 121.45 152.93 8.86 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.647 HG23 ' CB ' ' A' ' 34' ' ' ARG . 34.4 m -108.91 120.86 43.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.845 0.355 . . . . 0.0 111.131 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 31' ' ' VAL . 68.0 t -124.59 128.48 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.408 ' CE1' ' HB2' ' A' ' 62' ' ' PHE . 11.4 p90 -146.54 143.32 28.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' HG3' HG22 ' A' ' 61' ' ' VAL . 27.2 ttm180 -120.18 100.94 7.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.841 HD12 ' O ' ' A' ' 44' ' ' ILE . 1.7 pp -100.95 147.31 8.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -97.3 137.07 36.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.506 HG21 HD12 ' A' ' 60' ' ' LEU . 14.5 t -139.07 158.5 44.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.45 ' C ' ' NE2' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -132.62 145.42 51.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.886 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -110.94 -175.83 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -66.74 -13.29 61.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.484 ' HA2' ' CD1' ' A' ' 56' ' ' ILE . . . 60.27 128.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.467 ' CZ ' ' HG ' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -44.07 -42.9 6.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.895 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 4.2 tpp -101.39 48.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 40.98 46.82 2.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.38 112.99 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.066 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -38.85 115.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.484 ' CD1' ' HA2' ' A' ' 50' ' ' GLY . 59.2 mt -93.98 132.7 28.98 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.618 0.723 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 79' ' ' SER . 53.6 Cg_endo -69.81 101.4 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' HB2' HG23 ' A' ' 46' ' ' THR . 22.2 mt -109.02 142.91 39.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -118.68 100.76 7.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.82 HD13 HG22 ' A' ' 111' ' ' VAL . 7.8 mt -98.22 109.64 22.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.424 HG22 ' HG3' ' A' ' 43' ' ' ARG . 84.2 t -112.48 101.11 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.515 ' CD2' HG13 ' A' ' 107' ' ' VAL . 60.0 m-85 -94.6 125.14 39.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -108.7 113.86 27.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.9 mt -89.16 111.52 45.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.572 0.701 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.402 ' HG2' ' CB ' ' A' ' 68' ' ' TYR . 53.9 Cg_endo -69.72 -164.32 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.351 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.3 t -95.67 -36.65 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' TYR . 11.8 t-20 -73.26 -35.48 66.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -33.66 149.94 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.663 0.744 . . . . 0.0 110.896 -179.861 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.0 Cg_endo -69.75 2.78 4.67 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.674 -1.803 . . . . 0.0 112.356 -0.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.507 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 58.0 m -75.73 46.5 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 t -174.76 170.26 3.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 37.1 mt -96.67 124.51 50.24 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.548 0.69 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 140.81 43.36 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.639 2.226 . . . . 0.0 112.393 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.04 96.54 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.754 HD12 HD23 ' A' ' 95' ' ' LEU . 33.5 mt -88.58 140.74 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 111.165 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.447 ' O ' HD13 ' A' ' 77' ' ' ILE . 33.2 m -142.37 139.28 31.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.873 HD11 ' CD1' ' A' ' 94' ' ' LEU . 25.7 mm -131.12 125.17 57.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -156.58 119.73 4.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' PRO . 13.6 t -126.23 155.68 41.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -56.39 -41.15 75.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.463 ' HG2' HG23 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -80.8 -35.92 32.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CG ' ' HB3' ' A' ' 79' ' ' SER . 22.9 mt -57.68 157.2 7.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 67.1 p -119.48 159.54 24.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.675 ' O ' HG23 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -41.69 -32.7 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.29 -64.28 1.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.058 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -55.02 -54.23 45.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 8.8 p -43.39 -27.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 84' ' ' ARG . 74.6 t -85.42 -49.54 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.418 ' HA ' ' CD ' ' A' ' 92' ' ' GLU . 90.2 m -54.01 -39.87 66.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.502 ' CG1' HG21 ' A' ' 77' ' ' ILE . 60.5 t -66.22 -45.64 89.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HD3' ' N ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -65.34 -58.92 4.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.48 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 25.3 pt-20 -42.98 -43.72 4.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 57.3 mmtt -60.74 -59.53 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.873 ' CD1' HD11 ' A' ' 77' ' ' ILE . 18.4 mt -39.01 -55.42 1.57 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.754 HD23 HD12 ' A' ' 75' ' ' ILE . 20.8 mt -50.89 -56.71 10.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -43.63 -48.74 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.54 -43.97 83.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 101' ' ' LEU . . . -42.32 -51.98 4.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -40.13 -57.16 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 41.8 t -57.4 -30.62 65.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 98' ' ' ALA . 11.4 mt -97.04 34.95 1.64 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 104' ' ' GLU . 12.2 mt -69.84 177.05 3.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 102' ' ' LEU . 58.1 m 36.65 33.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 102' ' ' LEU . 3.4 mp0 -153.25 161.31 29.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.651 0.738 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 93.19 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.441 ' O ' ' C ' ' A' ' 107' ' ' VAL . 18.8 ptp -93.57 -42.06 9.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 111' ' ' VAL . 69.4 t -33.79 -39.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.417 ' NE2' HD11 ' A' ' 112' ' ' LEU . 13.0 t-160 -82.53 -70.89 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.809 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' HIS . 16.8 mt-10 -37.11 -53.1 1.01 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.434 HD13 ' HE1' ' A' ' 62' ' ' PHE . 72.0 mt -44.48 -53.65 6.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.82 HG22 HD13 ' A' ' 60' ' ' LEU . 56.0 t -52.41 -63.83 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.417 HD11 ' NE2' ' A' ' 108' ' ' HIS . 38.2 mt -57.24 -23.64 49.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.551 ' CH2' HD11 ' A' ' 121' ' ' ILE . 76.5 t90 -77.61 -40.41 42.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 111' ' ' VAL . 7.2 tp -79.2 -20.41 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.45 ' NE2' ' C ' ' A' ' 47' ' ' LYS . 3.2 mm100 -78.09 -24.5 47.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -104.85 -45.38 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -89.46 33.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 119' ' ' ARG . 12.6 tp -68.75 -64.19 0.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 120' ' ' HIS . 0.0 OUTLIER -36.96 -72.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 123' ' ' SER . 36.8 t60 -35.07 -69.43 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.551 HD11 ' CH2' ' A' ' 113' ' ' TRP . 94.3 mt -39.6 -45.08 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' ' 51' ' ' PHE . 4.2 mm? -66.5 -33.79 76.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.957 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 120' ' ' HIS . 46.7 m -54.53 -48.92 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' A' ' 125' ' ' PRO . 4.1 pt20 34.88 52.62 1.43 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.475 ' CD ' ' N ' ' A' ' 124' ' ' GLN . 53.4 Cg_endo -69.78 3.36 2.82 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.677 2.251 . . . . 0.0 112.32 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -84.46 92.99 8.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 31.9 p -48.44 -51.43 26.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.469 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.5 t -61.7 130.07 44.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m -54.42 121.12 7.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.63 -127.45 3.01 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -70.18 -51.35 31.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.926 0.393 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -81.62 117.94 22.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.828 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.47 -137.47 7.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.447 ' SD ' ' HB3' ' A' ' 9' ' ' ALA . 3.9 ppp? -132.77 -34.53 1.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.752 0.311 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' HB3' ' SD ' ' A' ' 8' ' ' MET . . . -164.45 -176.53 4.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.109 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.655 ' CB ' ' CD ' ' A' ' 11' ' ' PRO . 11.8 mm-40 -135.0 -71.56 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.684 0.754 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.655 ' CD ' ' CB ' ' A' ' 10' ' ' GLU . 53.8 Cg_endo -69.78 -38.77 7.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.718 2.279 . . . . 0.0 112.37 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.0 t -69.92 -43.68 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.34 -51.88 57.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.846 ' O ' HG23 ' A' ' 18' ' ' VAL . 17.7 mt-10 -54.65 -40.87 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' OE1' HD12 ' A' ' 19' ' ' LEU . 1.8 tm-20 -60.13 -37.1 79.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.25 -53.87 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.1 t -49.71 -30.79 9.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 14' ' ' GLU . 48.9 t -78.37 -52.74 15.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 29' ' ' TRP . 14.3 mt -57.9 -55.47 34.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.964 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.43 -19.0 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.09 -50.61 9.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.9 mt -46.24 -44.44 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -95.25 -59.93 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.2 t 51.99 26.47 3.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.5 mmt180 -109.74 137.97 20.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.567 0.698 . . . . 0.0 110.903 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 2.74 3.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -127.8 -60.6 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -61.81 -11.0 10.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.79 ' CE3' HG21 ' A' ' 44' ' ' ILE . 11.1 t-105 -145.7 114.32 6.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -141.48 133.81 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.591 HG21 ' HG3' ' A' ' 34' ' ' ARG . 1.0 OUTLIER -113.48 110.7 33.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.8 mt -44.76 -64.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.0 m -144.54 167.67 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.591 ' HG3' HG21 ' A' ' 31' ' ' VAL . 11.1 mtp-105 -141.37 125.88 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.861 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -117.39 153.61 32.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.611 ' O ' HG22 ' A' ' 37' ' ' THR . 21.4 mm-40 -77.34 97.24 4.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.611 HG22 ' O ' ' A' ' 36' ' ' GLU . 13.8 t 46.56 39.49 6.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -123.41 -32.69 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.18 97.19 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.511 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.7 m -92.14 124.35 36.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.146 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.7 t -125.96 123.32 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -142.75 137.66 29.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.514 ' HG3' HG22 ' A' ' 61' ' ' VAL . 49.3 ttp180 -116.97 114.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.79 HG21 ' CE3' ' A' ' 29' ' ' TRP . 2.3 pp -118.9 147.94 22.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.096 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.421 ' NE2' ' OE1' ' A' ' 59' ' ' GLU . 26.1 m80 -102.19 140.23 36.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.527 HG23 ' HB3' ' A' ' 58' ' ' LEU . 8.1 t -136.91 157.74 46.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 pttm -116.32 150.37 37.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.81 174.31 6.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -70.83 -0.54 9.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.12 -146.49 36.15 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.477 ' CD2' ' HD2' ' A' ' 119' ' ' ARG . 9.2 m-85 -120.23 -41.36 2.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 110.87 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.405 ' O ' ' C ' ' A' ' 53' ' ' ASP . 8.4 ttm -125.64 78.86 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 52' ' ' MET . 4.1 m-20 36.86 47.49 0.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -140.35 112.08 7.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 130.82 48.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 57' ' ' PRO . 67.5 mt -107.75 137.19 19.67 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.667 0.746 . . . . 0.0 111.126 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 56' ' ' ILE . 53.8 Cg_endo -69.73 102.98 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 46' ' ' THR . 30.3 tp -106.06 140.61 38.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' OE2' ' N ' ' A' ' 60' ' ' LEU . 9.2 tp10 -122.94 131.38 53.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.72 HD22 ' CZ ' ' A' ' 62' ' ' PHE . 4.4 mt -130.93 117.44 19.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.514 HG22 ' HG3' ' A' ' 43' ' ' ARG . 47.7 t -111.11 107.72 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.72 ' CZ ' HD22 ' A' ' 60' ' ' LEU . 77.2 m-85 -105.49 150.26 25.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -132.79 123.55 26.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.447 HD21 HG21 ' A' ' 107' ' ' VAL . 9.7 mt -102.5 96.7 7.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.59 0.71 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -166.47 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.692 2.261 . . . . 0.0 112.306 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 37' ' ' THR . 32.9 m -82.86 -38.06 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' TYR . 10.3 m120 -66.16 -44.47 84.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.553 ' HA ' ' C ' ' A' ' 69' ' ' PRO . 0.6 OUTLIER -37.36 145.96 0.26 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.754 . . . . 0.0 110.872 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.553 ' C ' ' HA ' ' A' ' 68' ' ' TYR . 54.2 Cg_endo -69.72 3.05 4.51 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.344 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.479 ' N ' ' HA ' ' A' ' 68' ' ' TYR . 6.0 t -78.6 44.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 50.4 t -175.45 155.52 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 99' ' ' GLU . 82.6 mt -84.35 121.86 75.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.568 0.699 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 145.88 58.68 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.689 2.259 . . . . 0.0 112.353 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -73.01 109.71 2.9 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 22.9 mt -101.64 137.88 27.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.822 0.344 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.0 t -138.58 123.95 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.516 HG22 ' SG ' ' A' ' 87' ' ' CYS . 35.7 mm -112.51 130.2 66.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.144 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -155.51 120.27 4.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -124.62 157.06 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -83.76 -15.18 49.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -101.89 -56.79 2.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.6 mt -53.72 151.09 6.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 41.8 p -91.66 158.91 16.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.164 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -43.07 -55.83 3.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -52.69 -68.31 0.18 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -41.1 -58.28 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.516 ' SG ' HG22 ' A' ' 77' ' ' ILE . 1.9 t -42.4 -61.32 1.23 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.835 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 77.9 t -41.3 -53.09 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 87.9 m -46.86 -47.61 21.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.2 t -53.87 -54.99 15.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 92' ' ' GLU . 42.1 tttt -55.46 -62.21 1.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 91' ' ' LYS . 48.3 mt-10 -35.84 -51.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.4 mmtt -57.57 -58.22 9.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 91' ' ' LYS . 26.1 mt -40.39 -60.64 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.451 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 4.4 mm? -43.26 -64.08 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -35.71 -56.36 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.58 -39.25 90.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 95' ' ' LEU . . . -50.12 -57.04 8.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 102' ' ' LEU . 2.8 mm-40 -41.7 -60.21 1.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.0 m -63.08 -21.29 66.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 98' ' ' ALA . 12.5 mt -93.01 27.6 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.553 HD12 ' O ' ' A' ' 99' ' ' GLU . 2.7 mt -67.28 178.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 9.5 t 43.79 26.78 0.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.492 ' CG ' ' HD2' ' A' ' 105' ' ' PRO . 7.1 tt0 -155.09 141.48 13.15 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.63 0.729 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.492 ' HD2' ' CG ' ' A' ' 104' ' ' GLU . 54.1 Cg_endo -69.72 79.37 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 107' ' ' VAL . 3.7 ptp -71.03 -31.1 67.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.836 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.66 HG13 ' CD2' ' A' ' 62' ' ' PHE . 72.0 t -35.44 -49.99 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -72.85 -52.04 16.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 110' ' ' LEU . 4.3 mm-40 -49.74 -65.98 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 113' ' ' TRP . 23.3 mt -34.44 -62.81 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.644 HG12 ' NE2' ' A' ' 115' ' ' GLN . 98.8 t -36.7 -45.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.56 -35.32 58.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.524 ' CH2' HD11 ' A' ' 121' ' ' ILE . 55.8 t90 -61.55 -57.79 10.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.508 HG23 ' N ' ' A' ' 115' ' ' GLN . 5.6 tp -60.7 -49.35 84.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.644 ' NE2' HG12 ' A' ' 111' ' ' VAL . 36.0 mt-30 -34.35 -36.82 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 114' ' ' ILE . 8.9 mm100 -101.97 -43.75 5.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.533 ' O ' HD12 ' A' ' 121' ' ' ILE . 27.5 m-80 -83.74 39.58 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 8.6 tt -91.5 -38.71 12.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.477 ' HD2' ' CD2' ' A' ' 51' ' ' PHE . 21.6 ttt-85 -84.51 -46.1 11.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -48.58 -44.82 37.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 117' ' ' ASN . 74.9 mt -65.83 -39.8 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.5 mt -82.84 37.66 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.942 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 8.5 t -104.53 40.02 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -112.04 156.74 41.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.61 0.719 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 163.04 39.74 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.659 2.24 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -83.49 97.44 9.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.7 m -71.63 122.17 20.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.142 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.463 179.977 . . . . . . . . 0 0 . 1 stop_ save_