data_2e5g_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 2e5g _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 ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -142.34 166.59 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -144.73 149.88 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 19.8 t80 -99.31 115.67 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -113.44 130.48 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -157.21 173.49 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.32 59.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -79.45 156.82 75.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.08 -178.24 4.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -81.56 130.03 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.88 -30.49 5.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.428 ' CG1' ' HG ' ' A' ' 82' ' ' LEU . 67.6 t -57.03 136.32 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 p -66.85 -47.63 71.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.11 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.0 -61.79 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.428 ' HG ' ' CG1' ' A' ' 77' ' ' VAL . 34.4 mt -42.04 -56.26 2.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -48.62 -53.02 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -52.74 -41.97 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.86 -24.95 65.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.62 7.85 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.26 -8.7 50.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.18 -7.02 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.33 -35.76 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.59 179.66 46.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.75 118.61 4.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.1 t -92.89 131.0 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.09 -54.11 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 m -174.93 169.9 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.0 t -124.77 99.59 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.8 t -83.14 90.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.0 ptm -100.02 135.12 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.64 133.87 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -98.36 -38.9 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -51.45 -48.18 62.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -119.91 -55.44 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.76 72.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.494 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.85 -46.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 27.6 p90 -114.48 157.78 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.93 122.41 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.5 mm -80.87 103.15 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.55 112.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -93.01 155.55 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.0 mmm -128.95 153.85 47.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.65 -73.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.54 159.53 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.54 -43.87 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.07 -47.2 49.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.427 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.91 -55.09 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -58.17 -31.22 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.28 -34.53 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.97 -27.01 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.53 -41.96 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.75 -33.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 t -88.74 39.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.532 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 20.6 tm0? -110.88 144.43 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m -64.49 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.469 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 15.1 mp0 -135.02 143.96 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 98.3 m-70 -110.44 149.67 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 p -163.97 146.61 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.1 tp -118.33 73.88 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.46 43.73 18.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.76 -52.62 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -60.85 158.01 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -100.54 141.48 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 68.6 mt -118.71 134.55 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -85.05 61.73 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.6 125.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.68 153.94 72.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 136' ' ' ARG . 61.3 Cg_endo -76.56 47.59 2.15 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 135' ' ' PRO . 11.9 ttp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.337 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 p -171.88 146.58 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 m -148.49 134.83 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 31.1 t80 -83.08 100.16 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.417 HG22 ' CG2' ' A' ' 107' ' ' VAL . 57.3 t -97.97 116.83 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.2 p -143.59 170.66 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.09 24.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -98.43 147.68 33.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.68 176.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -91.27 117.14 29.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.03 -33.02 4.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.19 120.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -102.9 154.0 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -43.07 -39.71 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.29 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -49.87 -63.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.3 mt -40.47 -49.73 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -51.24 -59.14 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.75 -28.86 51.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -80.52 -24.71 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -93.57 -12.6 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.84 -19.11 62.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.81 -10.61 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -124.62 -28.31 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.65 162.36 28.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.25 126.98 9.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.56 108.43 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.12 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -161.32 162.63 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.77 127.59 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.1 t -118.69 96.89 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.8 ptp -99.62 140.08 34.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.92 155.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 -4.64 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -93.77 -58.04 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -105.89 -40.16 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.93 54.66 6.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.5 12.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 15.7 p90 -165.61 157.36 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.12 140.03 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.5 mm -95.48 105.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.417 ' CG2' HG22 ' A' ' 70' ' ' VAL . 77.8 t -94.48 136.22 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.93 159.02 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.5 mmm -125.65 144.51 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -53.25 -74.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -100.42 160.7 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.02 -44.47 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -54.42 -50.85 55.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -42.51 -45.74 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -62.54 -36.28 82.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.62 -50.63 72.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.86 -58.2 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.418 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 35.7 t -49.58 -46.38 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.05 -33.48 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -98.87 43.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 144.51 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.8 m -50.88 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -140.02 121.57 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.418 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 79.1 m-70 -80.48 119.8 23.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -147.84 136.33 21.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.3 tp -98.04 49.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.49 82.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.76 -61.36 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -98.66 176.36 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -109.47 168.77 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.0 mt -137.79 135.62 36.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -99.58 97.03 8.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.7 t -107.12 117.69 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -131.74 144.49 53.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.59 135.78 12.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 17.4 mtm105 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -81.16 155.23 26.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 m -135.49 155.81 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -97.76 117.04 31.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -116.3 137.06 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -160.86 160.61 31.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.08 31.15 9.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -95.23 146.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.56 143.72 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.28 124.09 20.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 111.42 -37.72 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 76' ' ' GLY . 98.7 t -36.86 137.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -109.47 172.28 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -62.28 -46.44 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.3 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.49 -61.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -46.6 -55.5 7.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 p -45.8 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -46.55 -58.96 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.14 -21.45 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -91.68 -11.39 37.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.4 mt -78.34 -5.49 52.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.5 -9.84 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -122.3 -30.89 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.83 167.83 38.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' GLY . 61.7 Cg_endo -76.65 125.44 8.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 108' ' ' GLU . 55.6 t -88.84 119.88 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -167.39 169.44 12.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.3 115.95 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.74 121.15 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 52.3 mtp -115.13 132.53 56.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -55.03 125.33 20.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -89.9 -34.82 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -57.12 -54.83 42.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -112.85 -57.7 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.68 44.85 3.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.56 -36.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -111.9 161.95 15.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -155.1 134.91 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.1 mm -93.03 113.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.41 119.75 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.47 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 31.0 tt0 -103.02 146.83 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -112.29 172.21 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' PRO . . . -74.35 -75.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -104.92 169.2 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.05 -25.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.48 -34.08 78.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.19 -46.23 88.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -61.86 -50.74 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -48.61 -51.78 26.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.57 -59.35 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.35 -49.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.35 -23.55 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -97.33 36.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 20.4 tm0? -109.34 148.85 30.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.3 m -69.36 -73.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.401 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 41.9 mt-30 -134.03 130.66 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -95.18 149.61 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -167.79 149.64 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.6 tp -119.43 58.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.62 92.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.77 -53.25 4.82 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -84.06 159.63 21.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 131' ' ' LEU . 23.2 ttm180 -116.92 147.65 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 73.4 mt -114.03 144.81 42.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -109.82 86.06 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.9 135.08 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -148.72 152.38 37.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.65 126.47 8.86 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 115' ' ' ARG . 29.7 mtt180 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.781 0.324 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -127.39 169.54 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 m -150.25 137.97 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 88.7 t80 -85.87 106.82 17.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.5 t -99.46 124.68 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.4 ' OG ' ' CZ ' ' A' ' 69' ' ' PHE . 34.1 m -151.36 156.04 39.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.07 32.36 6.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -98.91 156.54 35.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.725 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.01 162.99 31.44 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.18 146.35 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.97 -35.05 5.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.88 142.69 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.075 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -127.12 171.85 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 p -56.54 -38.88 72.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.87 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.3 -56.76 17.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -48.86 -50.49 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -50.28 -61.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.4 -26.45 12.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -81.13 -26.79 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -96.4 -10.9 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -67.61 -19.67 65.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.55 -19.89 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 23.3 m-85 -113.08 -22.62 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.05 160.4 22.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.0 127.3 9.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 0.0 112.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -86.9 121.87 38.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.99 -48.14 46.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 m -156.22 168.17 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -145.37 117.32 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.22 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.3 ptp -100.71 151.11 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -66.94 140.37 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -109.92 -15.36 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.51 -45.85 43.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -130.11 -48.93 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.39 60.2 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.8 m -121.21 8.41 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.516 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 39.0 p90 -169.11 158.13 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.3 136.47 11.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 mm -91.51 109.89 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.68 125.15 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -109.87 160.39 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.8 mmm -116.85 172.24 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.43 -39.39 12.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -133.56 169.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.4 p -61.66 -41.69 91.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.92 -46.7 55.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.62 -57.34 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 66' ' ' ARG . 2.1 tmm_? -49.68 -27.23 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -79.58 -44.94 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.58 -60.82 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 49.4 t -49.87 -46.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.02 -32.75 74.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -98.11 47.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 1.3 tm0? -106.14 133.26 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.5 p -45.68 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 68.0 mt-30 -137.43 124.95 22.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -85.51 129.94 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -154.35 140.81 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.2 tp -115.3 85.71 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.44 49.9 62.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.29 -52.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -64.36 140.06 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -90.23 145.05 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.6 mt -116.48 158.95 22.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -116.39 96.27 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.5 t -108.95 144.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -155.46 150.89 21.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.66 136.94 12.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.1 m -130.2 130.02 44.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 149.16 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -91.57 117.4 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -113.24 143.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 p -169.03 156.9 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.59 18.92 10.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -90.22 144.03 30.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.54 172.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -84.91 119.81 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 114.59 -35.68 4.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' GLY . 94.4 t -36.16 130.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -108.17 160.49 15.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ALA . 38.2 m -51.57 -53.54 37.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' SER . . . -34.06 -55.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.59 -46.54 89.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.73 -60.83 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.0 p -41.75 -52.32 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.95 -49.96 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.447 ' CD1' HD13 ' A' ' 126' ' ' LEU . 35.9 t80 -60.21 -36.87 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 107' ' ' VAL . 28.3 m-85 -74.49 -32.3 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.13 -37.13 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.09 -25.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.44 -40.7 5.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.41 155.03 19.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.76 155.1 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -122.31 88.69 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -38.09 -49.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -171.99 163.56 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 91.8 t -129.68 102.54 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.37 93.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.2 mmm -82.74 141.34 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 23.0 t0 -63.1 149.37 45.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -114.54 -44.51 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.23 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -91.06 -57.34 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.09 41.85 6.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.55 -16.17 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.435 ' CE1' ' CG ' ' A' ' 98' ' ' ASP . 15.6 p90 -132.07 176.27 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -168.68 134.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -87.0 112.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.547 HG23 ' CE2' ' A' ' 86' ' ' PHE . 92.4 t -102.45 119.37 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.51 151.64 19.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.7 mmm -116.5 149.5 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -43.7 -77.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.62 179.56 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.67 -40.18 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.45 -45.68 58.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -56.61 19.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -52.92 -39.06 62.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.64 -50.07 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.16 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.461 HG13 ' CE1' ' A' ' 124' ' ' HIS . 94.2 t -44.47 -47.27 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.96 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 m -96.33 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.699 ' NE2' ' H ' ' A' ' 122' ' ' SER . 0.0 OUTLIER -111.29 135.66 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.699 ' H ' ' NE2' ' A' ' 121' ' ' GLN . 27.3 p -45.16 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -136.7 149.48 47.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.461 ' CE1' HG13 ' A' ' 118' ' ' VAL . 77.8 m-70 -109.79 125.68 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 88.3 p -153.12 126.68 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.447 HD13 ' CD1' ' A' ' 85' ' ' TYR . 62.9 tp -87.62 84.54 7.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.92 39.31 78.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 119.24 -53.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -53.42 167.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -115.79 127.27 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 82.6 mt -114.83 134.99 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -99.7 84.04 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.04 131.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -146.86 143.94 19.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.57 149.41 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 26.0 mtm105 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -126.02 136.1 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.18 139.43 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 51.5 t80 -82.33 109.2 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.66 137.49 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.0 p -162.31 178.61 8.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.15 35.43 49.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -99.67 151.26 37.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 172.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 -91.37 113.76 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.64 -21.12 7.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.6 t -49.01 136.0 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.345 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -113.17 147.72 36.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.0 m -43.01 -36.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.46 96.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.68 -51.51 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.89 -54.25 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 p -46.84 -53.92 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -49.68 -46.71 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -70.36 -25.06 63.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -90.16 -8.49 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.98 -12.33 59.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.62 -14.16 60.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 44.1 m-85 -122.56 -21.19 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.21 161.81 23.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.22 121.16 5.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.8 t -77.07 109.41 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.28 -49.67 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -165.84 163.63 18.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.86 129.95 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.94 102.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.47 148.37 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.61 127.51 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -90.03 -1.02 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.11 -58.7 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -121.36 -28.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.59 53.25 8.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 m -101.75 -38.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 30.7 p90 -123.37 156.58 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.85 143.82 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -97.82 104.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.6 t -95.92 115.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -88.76 172.68 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mmm -136.14 153.15 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.01 -73.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.18 162.18 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.49 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.22 -48.15 76.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.63 -48.46 69.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -59.62 -43.18 93.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.75 -38.05 86.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.94 52.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -53.45 -53.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.58 -34.07 72.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 m -88.21 28.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.558 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp60 -101.64 145.94 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.8 m -61.61 -73.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -134.9 147.81 49.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 95.4 m-70 -113.04 140.19 48.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.0 p -156.11 137.52 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 18.3 tp -102.21 72.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 88.86 -53.79 4.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -150.78 -41.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -75.12 169.53 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -108.88 133.86 52.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.6 mt -100.31 154.5 18.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -110.81 99.83 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -150.3 152.55 33.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.642 0.734 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.64 139.54 10.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.83 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.2 m -128.26 178.0 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 m -153.09 142.4 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -80.39 125.26 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.27 123.87 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -151.89 -177.87 6.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.17 33.94 61.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -98.44 156.67 35.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.44 ' HG3' ' CG ' ' A' ' 129' ' ' HIS . 61.7 Cg_endo -76.71 138.91 19.52 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 157.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.48 -30.68 6.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.64 130.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -117.22 160.05 21.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 m -43.47 -51.02 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.81 -64.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -46.29 -47.69 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.87 -61.43 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.3 p -43.27 -57.08 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -51.36 -41.14 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -71.09 -26.3 62.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -91.3 -15.86 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.24 -21.61 66.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.47 -15.69 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -117.49 -32.54 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.73 162.14 30.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.12 134.3 17.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.3 t -97.27 121.1 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.22 -46.71 73.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.5 m -165.95 154.72 11.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.4 t -124.19 118.62 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.35 107.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.447 ' HG2' ' CB ' ' A' ' 105' ' ' ALA . 33.8 mtp -105.73 124.16 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.55 129.26 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -100.91 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.24 -46.48 82.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -118.87 -57.66 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.63 60.64 1.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.27 -42.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -116.04 164.45 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 97' ' ' MET . . . -154.85 130.31 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.86 113.12 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.1 t -97.34 115.27 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -93.64 150.97 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 50.8 mmm -115.66 161.34 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.81 -80.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -111.39 174.9 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.93 -40.77 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.58 83.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.59 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -50.09 -46.5 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -53.5 -52.75 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.33 -51.93 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.4 t -65.23 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.99 -16.2 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 t -98.95 30.05 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.455 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 10.4 tp60 -113.2 107.2 15.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.5 p -40.8 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.62 142.69 49.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 84.6 m-70 -106.67 144.23 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.4 p -156.29 137.95 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 127' ' ' GLY . 40.4 tp -112.53 103.5 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 126' ' ' LEU . . . 36.0 57.21 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.471 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.89 -49.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.44 ' CG ' ' HG3' ' A' ' 74' ' ' PRO . 28.6 m-70 -60.4 176.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -135.5 121.65 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 17.4 mt -103.31 157.82 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -116.14 81.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.85 137.87 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.89 147.89 8.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.6 121.89 4.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -128.31 165.42 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 m -144.83 153.51 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -95.94 114.73 26.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -112.45 144.17 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.3 p -173.17 178.25 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.88 25.46 55.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -88.04 157.61 50.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.98 129.51 10.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -43.68 121.68 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.18 -10.79 6.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -73.38 134.29 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -116.57 141.9 47.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -36.96 -34.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.53 77.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' ASP . 60.9 mt-30 -61.45 -48.78 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.26 -59.17 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -44.98 -52.13 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.72 -46.49 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.1 t80 -61.12 -23.17 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -93.0 -23.69 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.65 -15.39 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.12 -24.09 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.46 -26.14 9.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.48 166.06 33.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.12 134.83 19.99 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.637 2.225 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.4 t -96.23 112.42 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.3 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -167.85 162.38 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.83 120.64 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.69 110.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 35.3 mtp -101.39 132.96 46.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CG ' ' CE2' ' A' ' 104' ' ' PHE . 9.6 t70 -57.46 171.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -128.13 -40.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.34 -51.35 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -125.5 -37.58 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.94 47.3 11.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.69 11.83 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 98' ' ' ASP . 25.8 p90 -159.24 155.81 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -154.94 144.04 21.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -93.51 108.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 51.6 t -93.57 131.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.88 173.34 6.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 10.5 mtp -141.84 152.13 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.48 -72.79 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.67 169.51 10.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.35 -42.34 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.26 -41.88 62.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.546 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -39.85 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -63.29 -38.55 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.82 -55.51 29.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -39.11 -60.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.2 t -45.6 -48.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.7 t -87.19 35.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -104.82 122.12 45.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.466 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 69.2 m -35.62 -74.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -138.59 136.54 36.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -91.99 134.65 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.403 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 1.4 t -157.99 137.72 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.9 tp -99.6 77.97 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 47.51 54.51 10.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.16 -64.73 0.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -68.11 161.76 26.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -109.33 159.96 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.4 mt -132.65 172.62 12.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.03 90.95 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 17.0 t -100.22 129.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -135.5 147.37 61.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 136' ' ' ARG . 70.9 Cg_exo -45.66 115.01 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 135' ' ' PRO . 30.8 tpt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 p -164.63 143.34 6.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.8 m -131.96 128.14 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.48 108.09 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.29 131.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 p -155.2 164.42 38.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.95 19.32 51.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -80.82 152.11 71.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.56 166.11 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -89.04 93.48 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.62 6.38 3.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 78' ' ' ASP . 71.9 t -61.69 155.01 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.422 ' N ' HG12 ' A' ' 77' ' ' VAL . 35.8 t0 -116.32 163.3 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -64.55 -42.18 95.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.07 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -53.97 -57.93 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.2 mt -48.41 -64.06 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -42.79 -52.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -48.1 -58.26 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -55.67 -20.66 14.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.5 -15.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.16 -11.69 61.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.74 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -122.2 -19.6 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.4 160.67 21.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.38 121.79 7.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -80.57 116.63 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.6 m -167.1 161.83 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.3 t -124.04 115.06 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.86 114.57 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 56.2 mtp -107.99 141.17 40.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.76 138.17 58.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -98.46 -27.36 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.18 -58.99 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -118.03 -53.88 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.51 45.13 2.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.22 -2.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -149.49 160.0 43.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -151.91 132.41 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 mm -89.79 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 72.8 t -89.39 141.98 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -119.27 158.6 25.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 mmm -117.54 169.04 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.35 -56.14 3.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -119.36 162.57 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.352 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.52 -41.05 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.08 -35.23 63.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -37.13 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -60.07 -50.85 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.85 -55.97 7.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.99 -53.65 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.2 mt -54.08 -43.98 70.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -89.75 45.34 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -113.37 154.48 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.1 p -66.15 -73.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -137.69 165.32 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -133.33 137.38 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 p -150.14 142.0 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.8 tp -110.14 82.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.7 58.61 9.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 99.34 -53.53 1.02 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -61.6 179.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -123.17 152.1 41.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.2 mt -130.46 137.68 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -108.43 82.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.39 124.11 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -141.09 145.07 37.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 127.15 9.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.226 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 t -124.24 156.24 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.49 148.26 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -90.26 121.53 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.97 146.09 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.5 p -168.06 -179.61 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.89 29.65 58.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -92.93 147.47 34.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.705 0.764 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.92 177.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -91.66 113.07 25.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.12 -24.05 7.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -42.63 125.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 79' ' ' SER . 3.5 m-20 -107.63 141.81 38.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 78' ' ' ASP . 4.1 m -35.37 -52.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.87 -60.53 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.18 -54.89 25.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.82 -61.64 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -47.76 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.6 -47.94 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CG ' ' CD1' ' A' ' 126' ' ' LEU . 25.9 t80 -59.94 -27.89 67.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -84.9 -27.89 26.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.11 -13.03 5.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.15 -14.89 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -121.23 -35.28 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.7 166.2 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.14 137.35 23.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.232 . . . . 0.0 112.337 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.4 t -102.38 116.49 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.72 64.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -163.32 160.45 23.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.69 112.75 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.79 105.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.2 mtp -99.42 135.17 41.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.459 ' OD1' ' CZ ' ' A' ' 104' ' ' PHE . 9.1 t70 -56.84 150.03 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.25 -29.97 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -52.03 -53.69 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -129.69 -46.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.82 59.17 1.14 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.426 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.61 2.64 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 23.5 p90 -156.64 164.91 37.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.19 139.71 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.2 mm -91.9 108.4 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.5 t -94.11 116.12 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -101.32 150.34 23.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.5 mtp -115.22 162.07 17.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.38 -80.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.62 178.72 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 113' ' ' GLY . 8.9 p -61.08 -36.1 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 112' ' ' VAL . . . -56.52 -44.48 90.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.41 91.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.076 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -61.36 -31.57 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.3 -56.87 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -40.5 -61.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.0 t -50.99 -48.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.81 -25.15 60.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 t -95.17 41.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.421 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 22.1 tm0? -113.85 140.58 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 m -60.93 -74.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.421 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 40.4 mt-30 -133.75 121.42 21.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -81.2 134.11 35.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -154.21 131.98 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.562 ' CD1' ' CG ' ' A' ' 85' ' ' TYR . 14.2 tp -93.31 48.48 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.55 89.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 103.82 -52.15 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -105.3 160.39 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -102.88 160.65 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 77.1 mt -130.44 133.79 46.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -89.72 79.19 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.3 t -93.88 128.81 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -152.01 150.67 26.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.68 128.28 10.63 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 p -159.11 157.43 31.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 m -150.82 129.49 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 71.2 t80 -86.9 110.11 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.5 t -104.31 133.5 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 t -160.95 155.56 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 28.97 5.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -95.7 151.37 38.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.437 ' HB3' ' CE1' ' A' ' 129' ' ' HIS . 61.5 Cg_endo -75.95 154.47 38.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -63.26 133.74 54.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.94 -36.18 3.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -49.23 131.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -109.87 146.56 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.8 p -39.86 -45.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.01 63.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.57 -46.09 89.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.54 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.8 p -59.33 -57.76 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.64 -46.62 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -63.43 -39.44 94.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.53 -23.54 56.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.87 -14.85 60.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.73 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.4 -26.46 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.83 161.65 26.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.69 122.27 7.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.69 99.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.53 -48.34 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -166.74 156.51 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.6 t -122.59 101.09 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.52 93.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.7 mmm -85.06 117.51 24.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -38.69 143.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -116.32 -19.02 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.08 -61.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -108.65 -56.71 2.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 49.81 1.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.97 0.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 14.8 p90 -148.67 159.29 44.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.49 136.44 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.9 mm -92.55 108.41 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.3 t -97.01 129.51 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -105.32 169.37 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.3 mmm -136.52 143.96 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.23 -72.61 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -106.05 174.04 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.38 -42.29 87.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.84 -35.58 75.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.78 -51.94 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -29.4 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.3 t -51.85 -49.08 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.33 -14.08 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.3 m -99.53 30.64 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.496 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 11.1 tp60 -113.79 108.91 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -39.26 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.482 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 2.0 pm0 -125.37 133.0 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 82.6 m-70 -92.84 157.52 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.5 p -169.29 128.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 tp -93.99 62.67 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.9 -41.44 2.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.31 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 74' ' ' PRO . 27.0 m-70 -82.32 162.87 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -105.56 126.65 52.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 71.1 mt -102.3 146.93 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -108.28 82.87 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.1 t -92.91 118.25 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -120.47 153.12 56.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.698 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.26 105.94 2.17 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 109' ' ' MET . 3.6 mtp-105 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 53.9 p -139.69 143.84 37.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.405 HG12 ' NH1' ' A' ' 115' ' ' ARG . 27.0 m -137.86 142.57 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -82.28 119.47 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 107' ' ' VAL . 93.7 t -115.93 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.3 p -154.96 166.49 33.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.87 28.33 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -96.46 151.16 37.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.44 130.59 12.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -39.46 136.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.48 -31.75 6.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.5 t -49.83 132.8 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -111.27 151.73 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.3 p -45.76 -40.93 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.29 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -53.35 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.2 mt -53.5 -56.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -47.15 -59.25 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -46.57 -57.71 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.9 t80 -53.88 -28.56 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.553 ' CE2' HG23 ' A' ' 107' ' ' VAL . 28.1 m-85 -81.5 -30.8 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 98.3 mt -58.51 -24.85 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CD1' ' OE1' ' A' ' 121' ' ' GLN . 53.3 m-85 -119.58 -29.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.1 151.04 8.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.51 153.22 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.9 t -110.7 96.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.8 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -169.72 169.2 8.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.4 t -143.9 120.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.26 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.0 mtp -96.63 129.61 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -53.09 165.07 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' ASP . 20.1 tptm -124.6 -52.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 t0 -37.26 -47.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -123.98 -46.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.04 51.96 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 m -118.62 -26.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -123.42 159.81 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.29 142.51 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -93.81 117.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.553 HG23 ' CE2' ' A' ' 86' ' ' PHE . 55.1 t -102.27 147.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.8 157.31 40.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.437 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 15.1 mmm -117.82 145.51 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -46.68 -53.56 9.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.14 170.58 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.47 -46.06 95.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.0 -52.52 11.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -45.2 -55.73 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.336 . . . . 0.0 111.136 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 67' ' ' SER . 15.3 ttt85 -49.22 -51.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -47.64 -46.57 28.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.95 -62.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.2 t -45.35 -53.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.54 -31.96 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -91.19 29.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.419 ' OE1' ' CD1' ' A' ' 89' ' ' PHE . 6.8 tp60 -106.48 151.58 24.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.2 m -59.75 -74.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -128.67 169.23 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -129.16 150.14 50.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 7.9 t -173.78 146.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.4 HD13 ' CG ' ' A' ' 85' ' ' TYR . 19.0 tp -110.66 40.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.74 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.91 -55.18 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -116.86 177.75 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -110.64 172.89 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.48 150.21 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -113.21 51.59 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 134' ' ' ARG . 98.2 t -59.51 143.14 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.43 ' N ' HG13 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -163.32 145.37 7.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.37 149.76 2.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.2 t -138.33 156.75 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.91 149.35 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -91.11 118.19 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.2 t -112.78 127.61 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -151.08 165.28 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.78 33.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -90.7 143.74 29.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.99 158.44 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.301 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -72.84 127.56 32.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 106.98 -36.26 4.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 76' ' ' GLY . 80.7 t -35.04 125.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -104.48 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.5 p -60.78 -41.45 95.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.32 -58.72 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -55.24 -56.51 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.68 -56.53 7.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.1 t -54.53 -51.83 63.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.96 -42.92 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 125' ' ' SER . 19.7 t80 -69.95 -29.52 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.474 ' CE2' HG21 ' A' ' 107' ' ' VAL . 31.1 m-85 -81.62 -23.57 36.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.57 -24.34 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.81 65.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.458 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 78.6 m-85 -111.56 -37.1 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.05 166.59 38.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.6 124.93 10.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.64 107.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.424 ' HB3' ' CB ' ' A' ' 108' ' ' GLU . . . -50.52 -45.63 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t -173.92 158.33 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.2 t -122.85 99.45 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.3 t -88.48 100.34 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 54.1 mtp -95.35 136.85 35.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.32 156.07 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -111.29 -35.2 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -48.12 -60.41 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -125.21 -46.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.61 55.0 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.5 m -114.34 4.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -158.56 167.89 28.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.97 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.89 107.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 86' ' ' PHE . 53.1 t -91.73 117.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 93' ' ' ALA . 71.8 mt-10 -94.58 161.83 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.0 mmm -125.49 152.99 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.07 -59.64 10.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -121.88 173.13 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.41 -44.09 87.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.34 -36.63 46.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.1 93.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -68.31 -35.29 77.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -59.32 -36.57 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.95 -56.94 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 52.9 t -48.77 -47.45 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.09 -30.19 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -96.33 36.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.458 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -102.55 154.67 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m -61.98 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -140.04 122.1 15.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 73.4 m-70 -78.01 131.52 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.541 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 2.3 t -148.51 153.16 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.0 tp -113.17 32.68 5.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.02 -82.01 0.8 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.541 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.39 -44.08 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -109.09 172.94 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -106.16 174.37 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 55.0 mt -134.79 151.87 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -111.45 88.02 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.9 t -99.92 132.3 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -136.23 150.49 71.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.92 131.25 13.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.7 tpt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.9 mtm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.3 m -157.16 168.66 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -150.7 134.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 33.1 t80 -76.93 112.22 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -110.78 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.1 t -130.78 156.28 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.7 29.8 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -94.99 156.94 37.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.465 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 61.0 Cg_endo -75.47 147.71 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.29 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.3 mtm-85 -52.09 155.7 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 74' ' ' PRO . 76.3 t -43.39 135.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -123.09 150.82 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.4 p -45.15 -36.58 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.22 31.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -53.52 -55.66 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.4 mt -52.27 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.9 p -39.91 -52.49 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -50.75 -50.56 55.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.32 -26.41 68.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -88.15 -20.01 26.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 32.8 mt -64.2 -17.72 63.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.09 -12.22 61.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.645 ' CZ ' ' NE2' ' A' ' 121' ' ' GLN . 53.8 m-85 -124.48 -15.74 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.76 160.49 12.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.14 127.6 12.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.5 t -89.72 102.46 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.14 -53.64 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 t -162.2 158.51 24.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 67.4 t -126.11 103.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.26 100.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.9 ptp -108.27 136.34 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -51.92 131.98 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -91.45 -37.86 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -47.23 -49.66 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -131.98 -48.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.11 54.83 2.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.63 -9.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 13.9 p90 -151.53 157.42 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.02 143.83 27.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.7 mm -104.21 105.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.38 122.35 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.21 138.19 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmm -99.23 154.0 18.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -65.05 -64.49 3.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.81 165.55 11.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 p -61.48 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.81 -31.85 24.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.87 -48.78 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -62.85 -29.32 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.86 -48.38 71.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.21 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.24 -58.03 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.09 -23.05 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -99.17 28.89 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.645 ' NE2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 tt0 -100.13 148.74 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -61.46 -75.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -132.16 136.34 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.403 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 79.9 m-70 -97.39 124.27 41.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.9 p -154.02 121.93 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 tp -90.08 114.61 26.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.32 -98.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.52 32.32 3.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -128.47 -177.04 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -123.43 134.23 53.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 65.0 mt -119.06 165.25 14.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -127.65 84.79 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.96 115.29 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -124.09 152.82 67.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.89 152.22 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.812 0.339 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.4 m -125.87 161.91 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 m -141.47 135.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.511 ' CE2' ' HB2' ' A' ' 104' ' ' PHE . 30.0 t80 -79.42 113.92 17.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' CG2' HG23 ' A' ' 107' ' ' VAL . 85.8 t -108.78 131.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.459 ' HB3' ' CE1' ' A' ' 69' ' ' PHE . 24.5 p -158.24 172.89 17.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.33 22.52 56.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.45 156.14 53.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.86 148.02 27.84 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.51 136.84 56.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.36 -26.57 10.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.19 125.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 0.0 111.111 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -101.25 -176.45 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -79.75 -7.54 58.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.11 -47.81 9.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.27 -43.0 92.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.6 mt -58.87 -52.01 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.0 p -56.12 -57.93 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.0 -45.41 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.444 ' CD2' HD13 ' A' ' 126' ' ' LEU . 5.9 t80 -64.97 -24.77 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -92.25 1.63 57.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.4 -15.08 53.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.27 -1.71 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -126.71 -36.37 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.03 172.75 45.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.55 126.85 9.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -88.83 118.9 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.72 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -168.18 156.63 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.17 101.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.25 100.85 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.4 ptm -116.68 136.54 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.63 142.69 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -105.13 -53.33 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -44.16 -50.05 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -108.81 -51.03 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.75 68.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.35 -28.81 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.511 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 14.3 p90 -132.73 156.37 47.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.11 124.6 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.3 mm -81.7 107.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.431 HG23 ' CG2' ' A' ' 70' ' ' VAL . 42.7 t -91.01 106.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -92.29 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mmm -108.46 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -87.53 -59.52 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.09 165.39 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -68.44 -20.92 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.37 -43.55 45.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.36 -49.49 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -58.55 -50.09 75.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -52.76 -42.69 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.11 -49.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.1 -34.98 75.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -90.03 37.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.434 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 18.8 tm0? -106.76 148.64 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.7 m -66.81 -74.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.434 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 89.0 mt-30 -131.8 138.06 48.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -103.65 145.88 29.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.1 p -164.19 148.46 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 85' ' ' TYR . 15.8 tp -127.11 90.94 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.75 95.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.42 -45.93 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -57.07 177.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -119.67 159.43 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 69.4 mt -137.69 148.71 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -114.87 74.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.3 t -78.24 135.2 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -151.05 144.02 16.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.61 143.75 5.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -151.04 174.03 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 m -148.0 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -91.11 116.45 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -116.38 131.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.7 p -159.27 166.87 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.06 21.53 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.05 154.77 47.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.6 170.79 19.24 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -75.87 130.03 37.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.06 -36.06 3.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 133.23 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -114.52 150.64 34.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.3 p -48.2 -31.25 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.79 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.28 -46.75 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.74 -55.28 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.9 p -49.56 -58.45 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -48.82 -38.29 21.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.49 ' CG ' HD12 ' A' ' 126' ' ' LEU . 15.0 t80 -76.47 -28.54 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.34 -11.34 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.3 mt -75.1 -10.06 59.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.16 -7.2 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -126.67 -28.75 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.09 167.36 35.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.67 129.57 13.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.7 t -93.34 107.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.36 -47.99 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 m -173.46 158.69 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 73.5 t -125.2 109.32 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.48 82.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 71.7 mtp -76.21 114.78 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.01 149.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -108.66 -30.32 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -55.25 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 103' ' ' VAL . 19.1 mmtt -126.2 3.5 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' LYS . . . 37.66 27.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 1.2 p -75.55 -8.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 104' ' ' PHE . 4.2 p90 -156.78 164.37 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.55 130.41 14.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.5 mm -82.42 107.73 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 20.7 t -96.45 118.59 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.21 164.2 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.6 mmm -130.76 152.77 49.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -54.11 -79.96 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -111.15 168.79 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.58 -37.57 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.02 -39.36 68.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.66 -55.99 14.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -53.88 -38.77 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.57 -44.21 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.96 -54.91 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.32 -45.66 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.77 -30.54 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -97.78 50.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 3.5 tm0? -115.83 143.14 45.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -58.4 -72.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 6.8 tm0? -137.0 122.96 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -83.87 120.0 25.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 t -146.24 121.29 10.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.49 HD12 ' CG ' ' A' ' 85' ' ' TYR . 17.1 tp -91.71 99.11 12.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.16 27.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.96 -39.74 2.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.23 115.16 6.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -67.08 143.73 56.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.68 133.45 38.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -95.02 90.0 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.33 127.91 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -139.95 149.2 58.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.64 158.16 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -164.99 145.75 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.2 m -120.91 139.03 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 79.8 t80 -83.49 123.82 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.1 t -120.89 125.73 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.0 p -149.1 153.81 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 33.25 7.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -93.47 156.99 39.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.64 144.04 24.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -50.66 156.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.87 -41.3 2.74 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.408 ' CG1' ' HG ' ' A' ' 82' ' ' LEU . 95.3 t -44.74 120.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -106.29 148.32 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.0 p -39.28 -59.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.56 -53.41 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' LEU . 56.1 mt-30 -52.77 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' GLN . 29.1 mt -37.02 -50.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 t -53.18 -61.63 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -46.43 -36.54 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -76.8 -29.4 56.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -87.64 -1.77 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.5 mt -78.34 -16.09 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.47 -18.57 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -115.1 -27.83 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.74 164.73 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.56 125.41 8.94 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -87.14 120.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.19 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -167.41 151.25 6.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.25 96.04 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.34 97.95 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.64 145.28 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.75 150.9 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -115.65 -42.17 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.38 -47.3 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -121.92 -54.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.72 64.81 1.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.31 -40.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.485 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 13.2 p90 -120.15 163.57 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -159.78 135.42 8.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.9 mm -87.8 112.98 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.6 t -100.04 98.13 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.48 150.35 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 53.0 mmm -114.35 167.78 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -69.04 -69.92 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -121.23 178.71 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.26 -42.32 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.25 -39.16 58.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.96 55.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.2 -38.65 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.85 -52.49 63.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.45 -46.92 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.53 -42.01 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -88.15 41.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.583 HE22 ' N ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -106.92 163.12 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.0 m -99.02 -74.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.476 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 51.7 mt-30 -130.55 109.17 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.583 ' N ' HE22 ' A' ' 121' ' ' GLN . 67.3 m-70 -71.63 154.62 41.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.4 p -169.9 120.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.8 tp -93.15 87.04 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.66 44.35 79.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.73 -39.18 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.27 163.54 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -110.31 148.52 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.98 156.75 48.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -120.66 88.99 3.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.77 136.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 157.07 32.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 108.4 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 p -110.34 156.92 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -141.07 129.08 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 18.6 t80 -85.67 117.26 24.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.427 HG22 ' CG2' ' A' ' 107' ' ' VAL . 59.2 t -110.89 125.81 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 18.5 t -145.16 150.33 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.34 32.29 5.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -93.41 144.3 28.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.678 0.751 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.61 165.61 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -75.83 125.93 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 110.09 -37.96 3.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' GLY . 99.5 t -36.4 136.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -129.11 158.18 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.7 t -43.78 -42.42 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.64 -57.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -62.37 -57.47 11.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.9 mt -42.51 -52.42 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -51.93 -50.32 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.33 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.441 ' CG ' HD12 ' A' ' 126' ' ' LEU . 15.5 t80 -66.3 -22.86 66.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.472 ' CE2' HG21 ' A' ' 107' ' ' VAL . 30.8 m-85 -89.52 -23.57 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.04 -24.08 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 -18.78 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 121' ' ' GLN . 62.5 m-85 -116.09 -31.22 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.52 162.02 28.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.07 137.11 28.42 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.5 t -97.91 121.54 48.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.61 -49.64 62.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.5 m -163.59 159.36 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.7 120.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.4 t -104.76 102.43 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 32.2 mmm -87.14 129.92 34.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 36.8 t70 -45.55 116.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 10.55 18.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -93.94 -57.25 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -123.26 -67.59 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.72 2.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 98' ' ' ASP . 14.1 p90 -158.45 166.99 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.05 148.21 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.83 95.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' A' ' 86' ' ' PHE . 37.8 t -76.6 136.63 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -114.17 134.43 54.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 51.9 mmm -102.82 128.92 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' MET . . . -35.84 -72.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.58 179.29 4.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.43 -47.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.75 -43.93 16.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.93 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.2 ttp85 -65.66 -46.95 77.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.75 -45.26 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.61 -59.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -44.11 -52.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 28.9 mt -62.39 -27.43 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -98.8 41.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 tt0 -108.22 152.17 24.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m -65.63 -74.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 91.7 mt-30 -132.56 127.13 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -88.61 129.65 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 84.1 p -157.32 149.33 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.441 HD12 ' CG ' ' A' ' 85' ' ' TYR . 13.7 tp -105.69 -55.68 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.81 71.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.96 -38.65 3.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.499 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -108.75 172.82 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -108.95 148.42 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.06 115.51 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.86 80.01 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -80.72 129.22 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -141.38 153.82 66.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.33 108.11 2.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 m -106.61 155.57 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.07 147.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -94.02 118.08 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.8 t -113.26 141.9 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.8 p -165.28 138.25 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.78 24.69 1.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -89.66 155.41 48.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.24 -179.67 5.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -83.36 148.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.44 27.38 48.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 78' ' ' ASP . 77.7 t -97.67 134.4 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.8 m-20 -110.25 134.98 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 78' ' ' ASP . 77.3 p -35.66 -33.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . . . -60.1 -56.35 22.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -50.11 -51.63 41.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.54 -61.77 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.9 p -45.67 -57.57 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -46.75 -41.67 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.419 ' CD1' HD11 ' A' ' 126' ' ' LEU . 28.2 t80 -71.99 -25.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -91.69 -2.82 56.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.2 mt -84.47 -11.91 55.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.28 -6.53 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -124.9 -34.65 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.37 165.51 37.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.46 123.74 9.76 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -89.06 109.05 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.63 -48.28 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -170.03 167.23 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.37 130.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.6 t -116.11 90.35 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.5 ptm -99.98 128.61 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -49.44 156.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -120.81 -42.27 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.89 -55.34 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -113.05 -54.16 2.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.76 68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 1.94 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -156.12 153.52 29.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.32 127.7 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.8 mm -88.3 103.77 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.9 t -92.4 122.1 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -105.44 163.56 12.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -124.12 -176.7 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -88.26 -47.79 4.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.49 174.77 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.438 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 9.2 p -58.5 -35.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.03 89.29 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.71 -52.77 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -63.59 -26.38 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.61 -37.21 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.97 -50.04 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.34 -52.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.05 -35.5 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.8 t -91.64 42.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.49 138.73 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.7 m -47.41 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -140.04 125.23 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.415 ' CD2' ' HB ' ' A' ' 133' ' ' VAL . 62.1 m-70 -79.67 120.8 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.2 t -147.65 128.33 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 85' ' ' TYR . 22.4 tp -94.81 79.77 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 45.13 61.37 3.55 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.48 -53.68 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -72.31 167.42 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -125.91 127.69 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 39.9 mt -109.12 150.79 27.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -108.42 78.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.415 ' HB ' ' CD2' ' A' ' 124' ' ' HIS . 32.5 t -80.31 120.72 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -126.98 155.98 74.91 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.697 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.67 114.29 3.82 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.4 p -115.42 153.55 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.84 135.95 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -82.06 111.92 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.8 142.61 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.7 t -165.62 175.74 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.78 33.23 27.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -98.27 154.63 37.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.56 130.86 13.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.276 . . . . 0.0 112.389 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -42.52 145.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.57 -31.61 8.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.81 143.68 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -126.0 168.07 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.0 p -58.15 -41.48 83.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -66.35 -54.64 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.79 -56.43 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.6 p -48.44 -56.01 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.72 -27.98 44.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -83.15 -26.07 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.11 -14.05 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.3 mt -66.57 -32.37 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.19 -15.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -119.42 -38.19 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.13 160.49 32.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.31 123.28 9.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 83.7 t -81.52 105.23 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.72 -45.35 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -170.72 156.88 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.1 t -129.66 97.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.11 105.69 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.9 mmm -88.32 132.62 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.556 ' OD2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 t70 -51.56 136.26 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -100.36 -44.09 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.65 -51.25 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -123.92 -52.33 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 41.93 4.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.52 -38.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CZ ' ' OD2' ' A' ' 98' ' ' ASP . 7.5 p90 -119.41 176.0 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -160.26 144.93 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.03 114.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.5 t -103.3 124.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -104.03 172.03 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.4 mmm -133.43 161.58 34.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.95 -64.11 2.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.43 160.67 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.88 -30.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.72 96.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.15 -53.27 60.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -53.76 -46.92 71.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -57.43 -49.44 76.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.81 -63.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 73.6 t -44.96 -46.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.57 -41.22 98.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.2 t -87.27 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.597 ' NE2' ' H ' ' A' ' 122' ' ' SER . 0.0 OUTLIER -104.25 125.47 50.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.597 ' H ' ' NE2' ' A' ' 121' ' ' GLN . 1.8 m -42.76 -70.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.51 136.18 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 77.6 m-70 -100.13 132.34 45.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 98.4 p -160.32 136.35 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.13 39.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.8 66.57 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 140.72 -60.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -106.18 165.58 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -95.58 158.87 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.8 mt -129.85 165.03 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -129.6 73.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.6 127.92 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -141.74 153.07 64.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.56 135.95 20.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.6 p -64.63 174.37 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 t -48.41 126.83 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.44 93.56 1.53 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.2 m -156.04 114.61 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -79.69 136.91 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.13 -45.86 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 HD22 ' NH2' ' A' ' 136' ' ' ARG . 92.5 mt -116.83 105.09 11.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -94.01 41.35 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -142.34 166.59 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -144.73 149.88 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 19.8 t80 -99.31 115.67 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -113.44 130.48 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -157.21 173.49 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.32 59.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -79.45 156.82 75.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.08 -178.24 4.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -81.56 130.03 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.88 -30.49 5.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.428 ' CG1' ' HG ' ' A' ' 82' ' ' LEU . 67.6 t -57.03 136.32 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 p -66.85 -47.63 71.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.11 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.0 -61.79 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.428 ' HG ' ' CG1' ' A' ' 77' ' ' VAL . 34.4 mt -42.04 -56.26 2.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -48.62 -53.02 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -52.74 -41.97 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.86 -24.95 65.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.62 7.85 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.26 -8.7 50.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.18 -7.02 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.33 -35.76 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.59 179.66 46.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.75 118.61 4.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.1 t -92.89 131.0 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.09 -54.11 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 m -174.93 169.9 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.0 t -124.77 99.59 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.8 t -83.14 90.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.0 ptm -100.02 135.12 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.64 133.87 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -98.36 -38.9 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -51.45 -48.18 62.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -119.91 -55.44 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.76 72.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.494 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.85 -46.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 27.6 p90 -114.48 157.78 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.93 122.41 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.5 mm -80.87 103.15 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 58.3 t -84.55 112.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -93.01 155.55 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.0 mmm -128.95 153.85 47.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.65 -73.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.54 159.53 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -53.54 -43.87 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.07 -47.2 49.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.427 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.91 -55.09 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -58.17 -31.22 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.28 -34.53 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.97 -27.01 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.53 -41.96 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 30.8 mt -61.75 -33.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 t -88.74 39.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.532 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 20.6 tm0? -110.88 144.43 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m -64.49 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.469 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 15.1 mp0 -135.02 143.96 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.532 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 98.3 m-70 -110.44 149.67 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 p -163.97 146.61 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.1 tp -118.33 73.88 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.46 43.73 18.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.76 -52.62 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -60.85 158.01 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -100.54 141.48 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 68.6 mt -118.71 134.55 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -85.05 61.73 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.6 125.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.68 153.94 72.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 136' ' ' ARG . 61.3 Cg_endo -76.56 47.59 2.15 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.418 ' NH2' HD22 ' A' ' 65' ' ' LEU . 11.9 ttp180 37.03 50.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -103.72 85.32 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 139' ' ' LYS . 15.1 tt0 -123.0 171.51 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 138' ' ' GLN . 1.7 mmmp? 38.1 50.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -80.93 117.86 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -77.21 126.95 31.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -113.11 143.37 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.7 p -170.29 153.36 4.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.733 0.777 . . . . 0.0 110.816 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.04 87.5 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -83.28 92.22 7.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 65.3 p -113.91 133.1 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -175.03 145.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.3 t -135.51 144.19 48.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.665 0.745 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.34 152.13 30.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 150' ' ' LYS . 0.0 OUTLIER -99.96 140.4 34.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -153.77 176.17 12.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.0 p -97.31 114.4 26.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -173.72 -49.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.1 m -43.53 -64.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.1 p -82.06 144.22 30.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.11 121.5 1.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.5 mp -69.96 -26.71 64.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.922 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -130.2 87.22 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 p -171.88 146.58 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 m -148.49 134.83 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 31.1 t80 -83.08 100.16 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG22 ' CG2' ' A' ' 107' ' ' VAL . 57.3 t -97.97 116.83 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.2 p -143.59 170.66 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.09 24.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -98.43 147.68 33.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.68 176.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -91.27 117.14 29.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.03 -33.02 4.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.19 120.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -102.9 154.0 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -43.07 -39.71 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.29 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -49.87 -63.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.3 mt -40.47 -49.73 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -51.24 -59.14 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.75 -28.86 51.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -80.52 -24.71 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -93.57 -12.6 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.84 -19.11 62.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.81 -10.61 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -124.62 -28.31 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.65 162.36 28.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.25 126.98 9.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.56 108.43 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.12 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -161.32 162.63 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.77 127.59 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.1 t -118.69 96.89 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.8 ptp -99.62 140.08 34.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.92 155.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 -4.64 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -93.77 -58.04 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -105.89 -40.16 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.93 54.66 6.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.5 12.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 15.7 p90 -165.61 157.36 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.12 140.03 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.5 mm -95.48 105.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.417 ' CG2' HG22 ' A' ' 70' ' ' VAL . 77.8 t -94.48 136.22 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.93 159.02 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.5 mmm -125.65 144.51 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -53.25 -74.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -100.42 160.7 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.2 p -55.02 -44.47 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -54.42 -50.85 55.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -42.51 -45.74 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -62.54 -36.28 82.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.62 -50.63 72.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.86 -58.2 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.418 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 35.7 t -49.58 -46.38 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.05 -33.48 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -98.87 43.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 144.51 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.8 m -50.88 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -140.02 121.57 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.418 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 79.1 m-70 -80.48 119.8 23.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -147.84 136.33 21.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.3 tp -98.04 49.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.49 82.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.76 -61.36 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -98.66 176.36 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -109.47 168.77 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.0 mt -137.79 135.62 36.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -99.58 97.03 8.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.7 t -107.12 117.69 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -131.74 144.49 53.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.59 135.78 12.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -85.61 99.36 11.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.58 33.63 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -95.16 122.92 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.51 136.43 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -128.64 102.92 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 141' ' ' PHE . 35.8 p90 -54.99 105.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -109.88 142.66 40.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.6 t -117.48 92.8 41.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.685 0.755 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.94 118.3 4.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -82.85 94.46 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 49.3 p -143.77 148.11 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 100.76 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.1 t -79.91 144.32 59.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.682 0.753 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.1 130.4 11.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -114.52 121.68 44.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.5 m -103.68 84.31 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.0 m -101.2 148.18 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.58 53.25 3.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.506 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.4 p 37.9 39.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -78.51 122.87 26.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.81 94.11 1.67 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -103.27 -34.51 8.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 17.4 mtm105 -58.74 -21.51 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -81.16 155.23 26.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 m -135.49 155.81 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -97.76 117.04 31.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.3 t -116.3 137.06 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -160.86 160.61 31.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.08 31.15 9.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -95.23 146.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.56 143.72 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.28 124.09 20.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 111.42 -37.72 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 76' ' ' GLY . 98.7 t -36.86 137.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -109.47 172.28 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -62.28 -46.44 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.3 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.49 -61.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -46.6 -55.5 7.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 p -45.8 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -46.55 -58.96 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.14 -21.45 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -91.68 -11.39 37.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.4 mt -78.34 -5.49 52.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.5 -9.84 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -122.3 -30.89 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.83 167.83 38.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' GLY . 61.7 Cg_endo -76.65 125.44 8.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 108' ' ' GLU . 55.6 t -88.84 119.88 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -167.39 169.44 12.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.3 115.95 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.74 121.15 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 52.3 mtp -115.13 132.53 56.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -55.03 125.33 20.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -89.9 -34.82 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -57.12 -54.83 42.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -112.85 -57.7 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.68 44.85 3.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.56 -36.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -111.9 161.95 15.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -155.1 134.91 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 31.1 mm -93.03 113.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.41 119.75 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.47 ' O ' ' CG1' ' A' ' 92' ' ' VAL . 31.0 tt0 -103.02 146.83 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -112.29 172.21 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' PRO . . . -74.35 -75.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -104.92 169.2 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.05 -25.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.48 -34.08 78.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.19 -46.23 88.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -61.86 -50.74 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -48.61 -51.78 26.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.57 -59.35 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.35 -49.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.35 -23.55 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -97.33 36.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 20.4 tm0? -109.34 148.85 30.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.3 m -69.36 -73.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.401 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 41.9 mt-30 -134.03 130.66 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -95.18 149.61 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -167.79 149.64 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.6 tp -119.43 58.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.62 92.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.77 -53.25 4.82 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -84.06 159.63 21.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 131' ' ' LEU . 23.2 ttm180 -116.92 147.65 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 73.4 mt -114.03 144.81 42.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -109.82 86.06 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.9 135.08 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -148.72 152.38 37.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.65 126.47 8.86 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -51.4 -44.11 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -167.68 113.13 0.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -157.62 118.64 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 140' ' ' GLU . 8.0 mtpm? -112.06 102.57 10.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 139' ' ' LYS . 12.9 pt-20 34.48 40.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -120.44 124.81 46.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -136.62 122.88 20.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.9 p -110.54 92.89 14.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.687 0.756 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.55 134.85 12.87 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -85.39 153.79 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.6 t -159.63 165.94 31.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -99.67 156.99 16.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 28.3 p -158.68 144.36 12.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.706 0.765 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.19 -51.47 0.09 OUTLIER 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -173.16 159.18 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -67.01 165.62 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 m -83.14 111.16 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.03 155.35 53.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.6 p -54.45 -59.99 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.0 p -127.53 137.85 52.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.53 140.69 3.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mp -95.45 105.23 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 115' ' ' ARG . 29.7 mtt180 43.18 49.01 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -127.39 169.54 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 m -150.25 137.97 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 88.7 t80 -85.87 106.82 17.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.5 t -99.46 124.68 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.4 ' OG ' ' CZ ' ' A' ' 69' ' ' PHE . 34.1 m -151.36 156.04 39.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.07 32.36 6.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -98.91 156.54 35.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.725 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.01 162.99 31.44 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.18 146.35 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.97 -35.05 5.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.88 142.69 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.075 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -127.12 171.85 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 p -56.54 -38.88 72.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.87 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.3 -56.76 17.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -48.86 -50.49 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -50.28 -61.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.4 -26.45 12.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -81.13 -26.79 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -96.4 -10.9 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -67.61 -19.67 65.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.55 -19.89 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 23.3 m-85 -113.08 -22.62 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.05 160.4 22.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.0 127.3 9.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 0.0 112.362 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -86.9 121.87 38.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.99 -48.14 46.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 m -156.22 168.17 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -145.37 117.32 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.22 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.3 ptp -100.71 151.11 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -66.94 140.37 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -109.92 -15.36 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.51 -45.85 43.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -130.11 -48.93 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.39 60.2 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 23.8 m -121.21 8.41 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.516 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 39.0 p90 -169.11 158.13 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.3 136.47 11.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 mm -91.51 109.89 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.68 125.15 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -109.87 160.39 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 12.8 mmm -116.85 172.24 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.43 -39.39 12.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -133.56 169.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.4 p -61.66 -41.69 91.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -51.92 -46.7 55.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -57.62 -57.34 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 111.151 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 66' ' ' ARG . 2.1 tmm_? -49.68 -27.23 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -79.58 -44.94 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.58 -60.82 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 49.4 t -49.87 -46.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.02 -32.75 74.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -98.11 47.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.482 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 1.3 tm0? -106.14 133.26 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.5 p -45.68 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 68.0 mt-30 -137.43 124.95 22.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -85.51 129.94 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -154.35 140.81 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 29.2 tp -115.3 85.71 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.44 49.9 62.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.29 -52.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -64.36 140.06 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -90.23 145.05 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.6 mt -116.48 158.95 22.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -116.39 96.27 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.5 t -108.95 144.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -155.46 150.89 21.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.66 136.94 12.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -48.92 -44.3 40.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -142.13 123.18 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 139' ' ' LYS . 49.1 mt-30 -70.93 86.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 138' ' ' GLN . 23.9 ttpt -36.09 146.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -115.58 -42.59 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -91.0 110.89 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -146.23 151.6 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 13.0 t -133.27 144.16 51.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 145' ' ' ALA . 61.8 Cg_endo -77.32 40.5 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 144' ' ' PRO . . . -34.21 -49.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.4 t -117.41 168.15 10.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -121.07 -57.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.1 m -126.49 144.15 48.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.57 -52.18 7.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -132.1 169.99 15.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.449 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 t -91.79 97.25 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -137.67 177.85 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 158.37 -179.82 33.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.3 m -141.19 165.85 26.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.5 m -68.78 115.91 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' LEU . . . -157.46 -112.35 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 65' ' ' LEU . 2.2 pt? -35.72 145.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -129.37 38.34 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.1 m -130.2 130.02 44.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 149.16 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -91.57 117.4 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.7 t -113.24 143.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 p -169.03 156.9 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.59 18.92 10.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -90.22 144.03 30.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.54 172.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -84.91 119.81 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 114.59 -35.68 4.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' GLY . 94.4 t -36.16 130.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -108.17 160.49 15.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ALA . 38.2 m -51.57 -53.54 37.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' SER . . . -34.06 -55.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.59 -46.54 89.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.73 -60.83 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.0 p -41.75 -52.32 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.95 -49.96 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.447 ' CD1' HD13 ' A' ' 126' ' ' LEU . 35.9 t80 -60.21 -36.87 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 107' ' ' VAL . 28.3 m-85 -74.49 -32.3 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 32.8 mt -55.13 -37.13 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.09 -25.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.44 -40.7 5.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.41 155.03 19.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.76 155.1 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -122.31 88.69 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -38.09 -49.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -171.99 163.56 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 91.8 t -129.68 102.54 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.37 93.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.2 mmm -82.74 141.34 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 23.0 t0 -63.1 149.37 45.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -114.54 -44.51 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.23 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -91.06 -57.34 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.09 41.85 6.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.55 -16.17 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.435 ' CE1' ' CG ' ' A' ' 98' ' ' ASP . 15.6 p90 -132.07 176.27 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -168.68 134.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -87.0 112.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.547 HG23 ' CE2' ' A' ' 86' ' ' PHE . 92.4 t -102.45 119.37 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.51 151.64 19.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.7 mmm -116.5 149.5 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -43.7 -77.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.62 179.56 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.67 -40.18 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.45 -45.68 58.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -56.61 19.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -52.92 -39.06 62.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.64 -50.07 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.16 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.461 HG13 ' CE1' ' A' ' 124' ' ' HIS . 94.2 t -44.47 -47.27 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 46.2 mt -62.96 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 m -96.33 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.699 ' NE2' ' H ' ' A' ' 122' ' ' SER . 0.0 OUTLIER -111.29 135.66 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.699 ' H ' ' NE2' ' A' ' 121' ' ' GLN . 27.3 p -45.16 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -136.7 149.48 47.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.461 ' CE1' HG13 ' A' ' 118' ' ' VAL . 77.8 m-70 -109.79 125.68 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 88.3 p -153.12 126.68 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.447 HD13 ' CD1' ' A' ' 85' ' ' TYR . 62.9 tp -87.62 84.54 7.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.92 39.31 78.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 119.24 -53.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -53.42 167.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -115.79 127.27 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 82.6 mt -114.83 134.99 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -99.7 84.04 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.04 131.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -146.86 143.94 19.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.57 149.41 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -91.66 105.6 17.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -92.61 173.22 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -132.22 -178.99 5.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 139.69 52.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 141' ' ' PHE . 6.1 pt-20 -121.14 43.23 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 140' ' ' GLU . 14.0 m-85 -37.34 -49.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -174.16 171.04 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.8 m -168.69 144.18 2.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.44 140.4 8.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -77.73 168.65 19.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 48.4 p -67.09 128.89 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 45.66 49.64 11.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -42.73 155.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.04 155.78 33.83 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.09 153.47 34.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.8 p -56.2 147.31 20.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -57.62 135.15 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.33 -65.03 2.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -119.77 93.09 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.6 m -72.91 111.39 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.52 59.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 ' O ' ' CD ' ' A' ' 115' ' ' ARG . 0.6 OUTLIER -104.57 118.12 35.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 26.0 mtm105 -96.44 31.63 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -126.02 136.1 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.18 139.43 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 51.5 t80 -82.33 109.2 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.66 137.49 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.0 p -162.31 178.61 8.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.15 35.43 49.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -99.67 151.26 37.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 172.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 -91.37 113.76 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.64 -21.12 7.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.6 t -49.01 136.0 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.345 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -113.17 147.72 36.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.0 m -43.01 -36.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.46 96.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.68 -51.51 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.89 -54.25 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.7 p -46.84 -53.92 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -49.68 -46.71 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -70.36 -25.06 63.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -90.16 -8.49 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 32.4 mt -76.98 -12.33 59.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.62 -14.16 60.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 44.1 m-85 -122.56 -21.19 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.21 161.81 23.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.22 121.16 5.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.8 t -77.07 109.41 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.28 -49.67 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -165.84 163.63 18.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.86 129.95 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.94 102.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.47 148.37 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.61 127.51 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -90.03 -1.02 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.11 -58.7 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -121.36 -28.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.59 53.25 8.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 m -101.75 -38.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 30.7 p90 -123.37 156.58 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.85 143.82 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -97.82 104.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.6 t -95.92 115.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -88.76 172.68 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mmm -136.14 153.15 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.01 -73.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.18 162.18 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.49 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.22 -48.15 76.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.63 -48.46 69.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 65' ' ' LEU . 67.8 ttp85 -59.62 -43.18 93.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.75 -38.05 86.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.94 52.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -53.45 -53.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.58 -34.07 72.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 m -88.21 28.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.558 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp60 -101.64 145.94 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.8 m -61.61 -73.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -134.9 147.81 49.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.422 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 95.4 m-70 -113.04 140.19 48.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.0 p -156.11 137.52 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 18.3 tp -102.21 72.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 88.86 -53.79 4.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -150.78 -41.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -75.12 169.53 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -108.88 133.86 52.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.6 mt -100.31 154.5 18.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -110.81 99.83 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -150.3 152.55 33.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.642 0.734 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.64 139.54 10.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.99 128.58 41.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -79.33 101.79 8.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -71.92 78.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -88.2 134.57 33.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -155.76 173.05 17.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 7.1 p90 -134.05 109.69 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -131.23 178.61 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.2 t -133.03 86.7 41.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.685 0.755 . . . . 0.0 110.907 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.69 136.17 12.81 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -167.11 137.25 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 62.0 m -119.79 171.29 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -137.36 112.48 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.0 t -113.43 143.83 30.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.78 171.42 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -57.43 -54.84 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -70.53 114.26 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.9 p -117.87 100.51 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.67 81.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.0 m -65.34 -58.85 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -74.67 143.22 44.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.24 -153.97 6.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -104.59 71.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -103.4 48.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.2 m -128.26 178.0 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 m -153.09 142.4 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -80.39 125.26 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.27 123.87 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -151.89 -177.87 6.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.17 33.94 61.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -98.44 156.67 35.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.44 ' HG3' ' CG ' ' A' ' 129' ' ' HIS . 61.7 Cg_endo -76.71 138.91 19.52 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 157.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.48 -30.68 6.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.64 130.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.148 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -117.22 160.05 21.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 m -43.47 -51.02 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.81 -64.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -46.29 -47.69 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.87 -61.43 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.3 p -43.27 -57.08 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -51.36 -41.14 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -71.09 -26.3 62.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -91.3 -15.86 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 mt -65.24 -21.61 66.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.47 -15.69 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -117.49 -32.54 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.73 162.14 30.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.12 134.3 17.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.3 t -97.27 121.1 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.22 -46.71 73.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.5 m -165.95 154.72 11.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.4 t -124.19 118.62 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.35 107.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.447 ' HG2' ' CB ' ' A' ' 105' ' ' ALA . 33.8 mtp -105.73 124.16 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.55 129.26 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -100.91 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.24 -46.48 82.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -118.87 -57.66 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.63 60.64 1.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.2 m -124.27 -42.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -116.04 164.45 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 97' ' ' MET . . . -154.85 130.31 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.86 113.12 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.1 t -97.34 115.27 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -93.64 150.97 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 50.8 mmm -115.66 161.34 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.81 -80.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -111.39 174.9 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.93 -40.77 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.58 83.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.59 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -50.09 -46.5 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -53.5 -52.75 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.33 -51.93 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.4 t -65.23 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.99 -16.2 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 t -98.95 30.05 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.455 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 10.4 tp60 -113.2 107.2 15.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.5 p -40.8 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.62 142.69 49.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 84.6 m-70 -106.67 144.23 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.4 p -156.29 137.95 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 127' ' ' GLY . 40.4 tp -112.53 103.5 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 126' ' ' LEU . . . 36.0 57.21 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.471 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.89 -49.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.44 ' CG ' ' HG3' ' A' ' 74' ' ' PRO . 28.6 m-70 -60.4 176.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -135.5 121.65 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 17.4 mt -103.31 157.82 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -116.14 81.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.85 137.87 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.89 147.89 8.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.6 121.89 4.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -62.18 -23.28 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -159.3 128.03 5.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 138' ' ' GLN . 1.7 pm0 -121.84 138.3 54.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -98.97 100.14 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.87 79.65 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -170.44 156.75 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -145.39 157.26 44.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.5 t -128.0 80.71 71.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.803 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.6 94.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -137.17 177.32 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 32.5 p -129.04 91.26 3.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -90.32 135.41 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 78.9 p -163.0 144.62 7.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.75 126.94 9.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 173.55 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.9 p -114.21 175.69 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -126.56 162.46 25.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.08 -120.84 4.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t 53.08 41.87 32.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -67.12 178.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.06 135.37 15.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 mt -127.71 64.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 47.96 42.27 16.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -128.31 165.42 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 m -144.83 153.51 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -95.94 114.73 26.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -112.45 144.17 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.3 p -173.17 178.25 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.88 25.46 55.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -88.04 157.61 50.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.98 129.51 10.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -43.68 121.68 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.18 -10.79 6.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -73.38 134.29 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -116.57 141.9 47.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -36.96 -34.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.53 77.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' ASP . 60.9 mt-30 -61.45 -48.78 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.26 -59.17 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -44.98 -52.13 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.72 -46.49 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.1 t80 -61.12 -23.17 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -93.0 -23.69 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.65 -15.39 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.12 -24.09 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.46 -26.14 9.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.48 166.06 33.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.12 134.83 19.99 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.637 2.225 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.4 t -96.23 112.42 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.3 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -167.85 162.38 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.83 120.64 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.69 110.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 35.3 mtp -101.39 132.96 46.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CG ' ' CE2' ' A' ' 104' ' ' PHE . 9.6 t70 -57.46 171.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -128.13 -40.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.34 -51.35 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -125.5 -37.58 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.94 47.3 11.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.69 11.83 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 98' ' ' ASP . 25.8 p90 -159.24 155.81 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -154.94 144.04 21.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -93.51 108.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 51.6 t -93.57 131.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.88 173.34 6.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 10.5 mtp -141.84 152.13 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.48 -72.79 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.67 169.51 10.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 10.1 p -71.35 -42.34 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.26 -41.88 62.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.546 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -39.85 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -63.29 -38.55 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.82 -55.51 29.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -39.11 -60.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.2 t -45.6 -48.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.7 t -87.19 35.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -104.82 122.12 45.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.466 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 69.2 m -35.62 -74.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -138.59 136.54 36.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -91.99 134.65 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.403 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 1.4 t -157.99 137.72 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.9 tp -99.6 77.97 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 47.51 54.51 10.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.16 -64.73 0.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -68.11 161.76 26.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -109.33 159.96 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.4 mt -132.65 172.62 12.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.03 90.95 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 17.0 t -100.22 129.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -135.5 147.37 61.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 136' ' ' ARG . 70.9 Cg_exo -45.66 115.01 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 135' ' ' PRO . 30.8 tpt85 -36.59 -61.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -48.61 136.59 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.445 ' HG2' ' N ' ' A' ' 139' ' ' LYS . 2.4 pm0 -76.53 -29.78 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.445 ' N ' ' HG2' ' A' ' 138' ' ' GLN . 18.4 pttt -174.27 173.82 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.61 134.75 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.58 163.92 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -51.73 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 60.0 p -148.56 144.21 18.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.644 0.735 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.71 125.36 7.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.621 2.214 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.92 -51.08 59.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 97.3 p -170.51 138.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 102.27 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 69.3 m -134.48 144.22 50.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.669 0.747 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.47 -12.1 17.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -134.0 114.63 13.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 t -41.27 142.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -64.48 126.47 27.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.94 155.2 16.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.8 m -72.89 167.27 21.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.5 t -101.06 -48.11 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.66 76.4 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.8 mt -63.3 124.09 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -61.64 97.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 p -164.63 143.34 6.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.8 m -131.96 128.14 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.48 108.09 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.29 131.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 p -155.2 164.42 38.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.95 19.32 51.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -80.82 152.11 71.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.56 166.11 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -89.04 93.48 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.62 6.38 3.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 78' ' ' ASP . 71.9 t -61.69 155.01 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.422 ' N ' HG12 ' A' ' 77' ' ' VAL . 35.8 t0 -116.32 163.3 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -64.55 -42.18 95.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.07 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -53.97 -57.93 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.2 mt -48.41 -64.06 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -42.79 -52.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -48.1 -58.26 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -55.67 -20.66 14.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.5 -15.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 35.8 mt -70.16 -11.69 61.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.74 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -122.2 -19.6 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.4 160.67 21.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.38 121.79 7.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.2 t -80.57 116.63 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.6 m -167.1 161.83 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.3 t -124.04 115.06 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.86 114.57 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 56.2 mtp -107.99 141.17 40.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.76 138.17 58.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -98.46 -27.36 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.18 -58.99 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -118.03 -53.88 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.51 45.13 2.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.22 -2.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -149.49 160.0 43.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -151.91 132.41 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 mm -89.79 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 72.8 t -89.39 141.98 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -119.27 158.6 25.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 mmm -117.54 169.04 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.35 -56.14 3.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -119.36 162.57 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.352 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.52 -41.05 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.08 -35.23 63.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.499 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.07 -37.13 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -60.07 -50.85 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.85 -55.97 7.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.99 -53.65 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 21.2 mt -54.08 -43.98 70.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -89.75 45.34 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -113.37 154.48 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.1 p -66.15 -73.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -137.69 165.32 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -133.33 137.38 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 p -150.14 142.0 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.8 tp -110.14 82.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.7 58.61 9.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 99.34 -53.53 1.02 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -61.6 179.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -123.17 152.1 41.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.2 mt -130.46 137.68 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -108.43 82.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.39 124.11 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -141.09 145.07 37.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 127.15 9.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.226 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -47.19 -53.33 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 91.5 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -92.29 -43.5 9.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.451 ' HD3' ' N ' ' A' ' 140' ' ' GLU . 1.1 tmtp? -43.64 128.82 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.451 ' N ' ' HD3' ' A' ' 139' ' ' LYS . 10.5 pt-20 -174.98 115.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -45.73 -42.44 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -143.15 149.36 37.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.2 t -118.78 144.21 35.14 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.673 0.749 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.54 93.23 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -78.93 95.23 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.7 p -159.77 176.08 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -156.8 154.23 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 42.0 t -155.68 143.65 14.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.85 104.17 1.82 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.5 tptm 48.5 43.86 20.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -126.88 103.45 7.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.2 m -52.37 122.77 9.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' SER . . . 176.28 50.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.521 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' GLY . 1.6 t -34.64 -55.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t -51.02 -53.65 31.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.77 108.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mp -67.69 169.78 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -84.66 32.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 t -124.24 156.24 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.49 148.26 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -90.26 121.53 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.97 146.09 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.5 p -168.06 -179.61 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.89 29.65 58.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -92.93 147.47 34.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.705 0.764 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.92 177.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -91.66 113.07 25.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.12 -24.05 7.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -42.63 125.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 79' ' ' SER . 3.5 m-20 -107.63 141.81 38.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 78' ' ' ASP . 4.1 m -35.37 -52.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.87 -60.53 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.18 -54.89 25.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.82 -61.64 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -47.76 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.6 -47.94 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CG ' ' CD1' ' A' ' 126' ' ' LEU . 25.9 t80 -59.94 -27.89 67.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -84.9 -27.89 26.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.11 -13.03 5.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.15 -14.89 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -121.23 -35.28 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.7 166.2 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.14 137.35 23.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.232 . . . . 0.0 112.337 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.4 t -102.38 116.49 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.72 64.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -163.32 160.45 23.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.69 112.75 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.79 105.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.2 mtp -99.42 135.17 41.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.459 ' OD1' ' CZ ' ' A' ' 104' ' ' PHE . 9.1 t70 -56.84 150.03 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.25 -29.97 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -52.03 -53.69 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -129.69 -46.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.82 59.17 1.14 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.426 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.61 2.64 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 23.5 p90 -156.64 164.91 37.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -161.19 139.71 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.2 mm -91.9 108.4 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.5 t -94.11 116.12 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -101.32 150.34 23.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.5 mtp -115.22 162.07 17.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.38 -80.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.62 178.72 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 113' ' ' GLY . 8.9 p -61.08 -36.1 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.426 ' N ' HG12 ' A' ' 112' ' ' VAL . . . -56.52 -44.48 90.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.41 91.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.076 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -61.36 -31.57 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.3 -56.87 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -40.5 -61.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.0 t -50.99 -48.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.81 -25.15 60.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 t -95.17 41.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.421 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 22.1 tm0? -113.85 140.58 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 m -60.93 -74.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.421 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 40.4 mt-30 -133.75 121.42 21.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -81.2 134.11 35.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -154.21 131.98 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.562 ' CD1' ' CG ' ' A' ' 85' ' ' TYR . 14.2 tp -93.31 48.48 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.55 89.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 103.82 -52.15 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -105.3 160.39 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -102.88 160.65 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 77.1 mt -130.44 133.79 46.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -89.72 79.19 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.3 t -93.88 128.81 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -152.01 150.67 26.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.68 128.28 10.63 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -39.82 -64.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -105.93 168.22 9.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -68.97 141.84 54.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 139' ' ' LYS . 10.4 pttm -94.15 87.18 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -140.81 152.07 44.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -131.81 152.59 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -103.41 -56.3 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.8 m -140.43 144.23 36.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.98 144.59 21.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -90.37 143.47 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.6 t -101.44 101.03 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -54.65 131.82 44.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.97 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.2 t -110.37 144.17 29.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -77.92 -173.97 2.04 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -47.16 -50.11 21.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -145.5 142.25 29.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 p -163.24 169.42 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -112.55 -89.32 1.82 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -89.81 113.99 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -163.62 131.93 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.22 42.19 0.2 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.15 169.88 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 110.928 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -130.84 83.44 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 p -159.11 157.43 31.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 m -150.82 129.49 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 71.2 t80 -86.9 110.11 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.5 t -104.31 133.5 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 t -160.95 155.56 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 28.97 5.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -95.7 151.37 38.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.437 ' HB3' ' CE1' ' A' ' 129' ' ' HIS . 61.5 Cg_endo -75.95 154.47 38.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -63.26 133.74 54.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.94 -36.18 3.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -49.23 131.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -109.87 146.56 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.8 p -39.86 -45.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.01 63.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.57 -46.09 89.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.54 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.8 p -59.33 -57.76 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.64 -46.62 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -63.43 -39.44 94.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.53 -23.54 56.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.7 mt -64.87 -14.85 60.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.73 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.4 -26.46 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.83 161.65 26.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.69 122.27 7.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.69 99.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.53 -48.34 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -166.74 156.51 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.6 t -122.59 101.09 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.52 93.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.7 mmm -85.06 117.51 24.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -38.69 143.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -116.32 -19.02 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.08 -61.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -108.65 -56.71 2.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 49.81 1.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.97 0.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 14.8 p90 -148.67 159.29 44.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.49 136.44 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.9 mm -92.55 108.41 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 25.3 t -97.01 129.51 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -105.32 169.37 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.3 mmm -136.52 143.96 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.23 -72.61 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -106.05 174.04 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.38 -42.29 87.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -57.84 -35.58 75.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.78 -51.94 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -29.4 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.3 t -51.85 -49.08 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.33 -14.08 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.3 m -99.53 30.64 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.496 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 11.1 tp60 -113.79 108.91 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -39.26 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.482 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 2.0 pm0 -125.37 133.0 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 82.6 m-70 -92.84 157.52 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.5 p -169.29 128.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.8 tp -93.99 62.67 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.9 -41.44 2.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.31 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.437 ' CE1' ' HB3' ' A' ' 74' ' ' PRO . 27.0 m-70 -82.32 162.87 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -105.56 126.65 52.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 71.1 mt -102.3 146.93 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -108.28 82.87 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.1 t -92.91 118.25 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -120.47 153.12 56.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.698 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -76.26 105.94 2.17 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -52.11 145.43 10.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -148.08 -176.91 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -155.94 169.34 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -130.8 43.01 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -96.99 -59.67 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.489 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 38.4 t80 62.23 41.79 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -142.11 119.27 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.2 t -123.19 145.09 45.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.5 173.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -115.97 -50.78 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.6 t 47.03 41.93 11.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -47.92 -43.44 28.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 77.3 p -155.42 144.03 14.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -46.13 171.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.27 166.8 22.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -153.59 146.29 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 p -108.08 -39.56 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.57 76.75 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.8 p -147.88 147.94 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -123.87 123.57 40.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.5 -46.43 0.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.44 98.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 109' ' ' MET . 3.6 mtp-105 -107.23 44.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 53.9 p -139.69 143.84 37.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.405 HG12 ' NH1' ' A' ' 115' ' ' ARG . 27.0 m -137.86 142.57 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -82.28 119.47 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.46 HG21 ' CG2' ' A' ' 107' ' ' VAL . 93.7 t -115.93 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.3 p -154.96 166.49 33.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.87 28.33 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -96.46 151.16 37.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.44 130.59 12.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.339 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -39.46 136.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.48 -31.75 6.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.5 t -49.83 132.8 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -111.27 151.73 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.3 p -45.76 -40.93 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.29 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -53.35 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.2 mt -53.5 -56.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.6 t -47.15 -59.25 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -46.57 -57.71 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.9 t80 -53.88 -28.56 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.553 ' CE2' HG23 ' A' ' 107' ' ' VAL . 28.1 m-85 -81.5 -30.8 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 98.3 mt -58.51 -24.85 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CD1' ' OE1' ' A' ' 121' ' ' GLN . 53.3 m-85 -119.58 -29.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.1 151.04 8.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.51 153.22 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.9 t -110.7 96.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.8 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -169.72 169.2 8.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.4 t -143.9 120.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.26 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.0 mtp -96.63 129.61 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -53.09 165.07 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' ASP . 20.1 tptm -124.6 -52.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 t0 -37.26 -47.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -123.98 -46.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.04 51.96 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 m -118.62 -26.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -123.42 159.81 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.29 142.51 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -93.81 117.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.553 HG23 ' CE2' ' A' ' 86' ' ' PHE . 55.1 t -102.27 147.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.8 157.31 40.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.437 ' O ' ' NH2' ' A' ' 66' ' ' ARG . 15.1 mmm -117.82 145.51 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -46.68 -53.56 9.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.14 170.58 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.47 -46.06 95.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -47.0 -52.52 11.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -45.2 -55.73 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.336 . . . . 0.0 111.136 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 67' ' ' SER . 15.3 ttt85 -49.22 -51.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -47.64 -46.57 28.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.95 -62.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.2 t -45.35 -53.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.54 -31.96 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -91.19 29.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.419 ' OE1' ' CD1' ' A' ' 89' ' ' PHE . 6.8 tp60 -106.48 151.58 24.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.2 m -59.75 -74.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -128.67 169.23 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -129.16 150.14 50.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 7.9 t -173.78 146.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.4 HD13 ' CG ' ' A' ' 85' ' ' TYR . 19.0 tp -110.66 40.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.74 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.91 -55.18 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -116.86 177.75 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -110.64 172.89 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.48 150.21 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -113.21 51.59 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.43 HG13 ' N ' ' A' ' 134' ' ' ARG . 98.2 t -59.51 143.14 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.43 ' N ' HG13 ' A' ' 133' ' ' VAL . 0.1 OUTLIER -163.32 145.37 7.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.37 149.76 2.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -95.57 124.25 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -133.56 143.06 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -84.83 129.9 34.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -111.76 29.84 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -112.63 83.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.62 81.52 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -100.32 93.76 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.5 p -171.2 144.06 1.66 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.705 0.764 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.96 -29.0 5.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . 70.27 32.85 2.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.05 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 69.4 p -100.12 91.58 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -140.08 106.62 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 61.1 p -85.97 143.64 37.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.716 0.769 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -78.62 138.34 15.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.236 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -166.78 146.76 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.528 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -154.23 137.32 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -69.74 133.23 47.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.13 108.24 2.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.0 t -95.3 143.6 26.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.9 t -59.0 -48.24 82.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.32 99.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.63 -40.15 74.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 55.0 45.22 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.2 t -138.33 156.75 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.91 149.35 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -91.11 118.19 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 78.2 t -112.78 127.61 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -151.08 165.28 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.78 33.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -90.7 143.74 29.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.99 158.44 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.301 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -72.84 127.56 32.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 106.98 -36.26 4.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 76' ' ' GLY . 80.7 t -35.04 125.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -104.48 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.5 p -60.78 -41.45 95.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.32 -58.72 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -55.24 -56.51 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.68 -56.53 7.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.1 t -54.53 -51.83 63.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.96 -42.92 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 125' ' ' SER . 19.7 t80 -69.95 -29.52 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.474 ' CE2' HG21 ' A' ' 107' ' ' VAL . 31.1 m-85 -81.62 -23.57 36.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 21.0 mt -62.57 -24.34 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.81 65.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.458 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 78.6 m-85 -111.56 -37.1 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.05 166.59 38.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.6 124.93 10.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.64 107.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.424 ' HB3' ' CB ' ' A' ' 108' ' ' GLU . . . -50.52 -45.63 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t -173.92 158.33 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.2 t -122.85 99.45 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.3 t -88.48 100.34 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 54.1 mtp -95.35 136.85 35.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.32 156.07 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -111.29 -35.2 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -48.12 -60.41 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -125.21 -46.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.61 55.0 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.5 m -114.34 4.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -158.56 167.89 28.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.97 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.89 107.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 86' ' ' PHE . 53.1 t -91.73 117.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.424 ' CB ' ' HB3' ' A' ' 93' ' ' ALA . 71.8 mt-10 -94.58 161.83 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.0 mmm -125.49 152.99 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.07 -59.64 10.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -121.88 173.13 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.41 -44.09 87.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -52.34 -36.63 46.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.1 93.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -68.31 -35.29 77.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -59.32 -36.57 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.95 -56.94 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 52.9 t -48.77 -47.45 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.09 -30.19 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -96.33 36.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.458 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -102.55 154.67 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m -61.98 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -140.04 122.1 15.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 73.4 m-70 -78.01 131.52 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.541 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 2.3 t -148.51 153.16 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.0 tp -113.17 32.68 5.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.02 -82.01 0.8 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.541 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.39 -44.08 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -109.09 172.94 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -106.16 174.37 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 55.0 mt -134.79 151.87 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -111.45 88.02 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 51.9 t -99.92 132.3 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -136.23 150.49 71.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.92 131.25 13.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.7 tpt85 -54.66 -58.15 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.72 127.85 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.31 104.72 11.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -116.36 123.38 47.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.421 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 4.7 tp10 -81.63 -45.37 15.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.421 ' CE2' ' HG3' ' A' ' 140' ' ' GLU . 88.8 m-85 -124.36 117.68 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -57.26 -30.58 64.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 m -155.49 155.78 30.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.701 0.762 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.15 -44.18 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -99.02 168.16 10.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.2 t -73.47 148.37 43.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -79.78 175.14 10.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 15.3 m -151.06 149.71 25.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 150' ' ' LYS . 62.0 Cg_endo -77.65 158.11 32.0 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' PRO . 34.6 tttt -37.48 131.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.9 t -91.24 135.9 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.0 m -159.82 176.64 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.2 -113.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.4 t -110.6 157.08 20.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 p -116.22 174.37 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.88 117.1 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 5.9 mp -86.98 -40.0 15.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.9 mtm-85 -109.58 82.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.3 m -157.16 168.66 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -150.7 134.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 33.1 t80 -76.93 112.22 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -110.78 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.1 t -130.78 156.28 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 98.7 29.8 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -94.99 156.94 37.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.465 ' O ' ' CG2' ' A' ' 77' ' ' VAL . 61.0 Cg_endo -75.47 147.71 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.29 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.3 mtm-85 -52.09 155.7 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 74' ' ' PRO . 76.3 t -43.39 135.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -123.09 150.82 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.4 p -45.15 -36.58 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.22 31.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -53.52 -55.66 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.4 mt -52.27 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.9 p -39.91 -52.49 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -50.75 -50.56 55.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.32 -26.41 68.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -88.15 -20.01 26.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 32.8 mt -64.2 -17.72 63.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.09 -12.22 61.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.645 ' CZ ' ' NE2' ' A' ' 121' ' ' GLN . 53.8 m-85 -124.48 -15.74 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.76 160.49 12.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.14 127.6 12.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 43.5 t -89.72 102.46 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.14 -53.64 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 t -162.2 158.51 24.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 67.4 t -126.11 103.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.26 100.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.9 ptp -108.27 136.34 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -51.92 131.98 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -91.45 -37.86 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -47.23 -49.66 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -131.98 -48.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.11 54.83 2.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.63 -9.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 13.9 p90 -151.53 157.42 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.02 143.83 27.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.7 mm -104.21 105.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 t -92.38 122.35 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.21 138.19 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmm -99.23 154.0 18.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -65.05 -64.49 3.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.81 165.55 11.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 6.3 p -61.48 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -50.81 -31.85 24.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.87 -48.78 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 65' ' ' LEU . 24.3 ttt180 -62.85 -29.32 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.86 -48.38 71.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.21 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.24 -58.03 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.09 -23.05 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -99.17 28.89 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.645 ' NE2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 tt0 -100.13 148.74 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -61.46 -75.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -132.16 136.34 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.403 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 79.9 m-70 -97.39 124.27 41.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.9 p -154.02 121.93 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 tp -90.08 114.61 26.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.32 -98.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.52 32.32 3.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -128.47 -177.04 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -123.43 134.23 53.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 65.0 mt -119.06 165.25 14.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -127.65 84.79 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.96 115.29 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -124.09 152.82 67.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.89 152.22 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 137' ' ' GLU . 0.6 OUTLIER -88.71 177.55 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' ARG . 40.4 mm-40 36.24 39.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -117.27 96.75 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -124.62 38.95 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 139' ' ' LYS . 4.0 pt-20 34.43 39.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -103.52 -67.36 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -121.11 155.65 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.0 m -129.56 92.78 36.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.23 112.08 3.4 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -105.7 91.61 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.3 t -130.94 103.77 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -80.2 102.34 9.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.9 m -107.6 92.9 9.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.28 91.79 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -172.64 110.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 179.942 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 p -83.38 93.62 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.819 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.7 t -151.05 154.12 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.11 169.05 12.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.4 p -133.36 42.8 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.1 m -132.29 130.4 40.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.89 77.33 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.58 154.04 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -123.92 41.3 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.4 m -125.87 161.91 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 m -141.47 135.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.511 ' CE2' ' HB2' ' A' ' 104' ' ' PHE . 30.0 t80 -79.42 113.92 17.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' CG2' HG23 ' A' ' 107' ' ' VAL . 85.8 t -108.78 131.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.459 ' HB3' ' CE1' ' A' ' 69' ' ' PHE . 24.5 p -158.24 172.89 17.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.33 22.52 56.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.45 156.14 53.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.86 148.02 27.84 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.51 136.84 56.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.36 -26.57 10.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.19 125.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 0.0 111.111 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -101.25 -176.45 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -79.75 -7.54 58.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.11 -47.81 9.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.27 -43.0 92.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.6 mt -58.87 -52.01 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.0 p -56.12 -57.93 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.0 -45.41 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.444 ' CD2' HD13 ' A' ' 126' ' ' LEU . 5.9 t80 -64.97 -24.77 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -92.25 1.63 57.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.4 -15.08 53.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.27 -1.71 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -126.71 -36.37 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.03 172.75 45.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.55 126.85 9.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -88.83 118.9 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.72 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -168.18 156.63 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.17 101.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.25 100.85 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.4 ptm -116.68 136.54 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.63 142.69 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -105.13 -53.33 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -44.16 -50.05 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -108.81 -51.03 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.75 68.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.35 -28.81 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.511 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 14.3 p90 -132.73 156.37 47.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.11 124.6 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.3 mm -81.7 107.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.431 HG23 ' CG2' ' A' ' 70' ' ' VAL . 42.7 t -91.01 106.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -92.29 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mmm -108.46 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -87.53 -59.52 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.09 165.39 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -68.44 -20.92 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.37 -43.55 45.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.36 -49.49 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -58.55 -50.09 75.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -52.76 -42.69 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.11 -49.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.1 -34.98 75.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -90.03 37.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.434 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 18.8 tm0? -106.76 148.64 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.7 m -66.81 -74.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.434 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 89.0 mt-30 -131.8 138.06 48.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -103.65 145.88 29.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.1 p -164.19 148.46 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.444 HD13 ' CD2' ' A' ' 85' ' ' TYR . 15.8 tp -127.11 90.94 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.75 95.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.42 -45.93 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -57.07 177.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -119.67 159.43 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 69.4 mt -137.69 148.71 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -114.87 74.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.3 t -78.24 135.2 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -151.05 144.02 16.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.61 143.75 5.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -68.92 148.27 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.73 142.44 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -89.6 -57.05 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.5 tttt 42.23 46.14 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -119.59 149.43 41.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -91.85 47.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 143' ' ' SER . 19.8 tp60 -76.47 99.08 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 142' ' ' GLN . 74.3 p -33.49 96.36 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 0.0 110.82 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 142' ' ' GLN . 71.5 Cg_exo -45.83 108.95 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -126.22 112.78 16.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 41.1 t -125.2 114.4 18.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -130.41 89.52 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 25.7 p -163.3 154.8 14.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.687 0.756 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.11 179.36 6.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -54.32 -45.1 72.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -69.85 98.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -81.11 129.41 34.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.24 -67.19 0.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -99.3 36.87 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.9 p -170.33 145.93 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.53 138.92 11.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.401 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 6.2 mp -65.4 -41.3 93.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -114.98 70.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -151.04 174.03 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 m -148.0 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -91.11 116.45 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -116.38 131.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.7 p -159.27 166.87 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.06 21.53 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.05 154.77 47.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.6 170.79 19.24 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -75.87 130.03 37.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.06 -36.06 3.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 133.23 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -114.52 150.64 34.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.3 p -48.2 -31.25 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.79 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.28 -46.75 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.74 -55.28 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.9 p -49.56 -58.45 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -48.82 -38.29 21.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.49 ' CG ' HD12 ' A' ' 126' ' ' LEU . 15.0 t80 -76.47 -28.54 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.34 -11.34 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.3 mt -75.1 -10.06 59.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.16 -7.2 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -126.67 -28.75 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.09 167.36 35.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.67 129.57 13.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.7 t -93.34 107.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.36 -47.99 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 m -173.46 158.69 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 73.5 t -125.2 109.32 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.48 82.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 71.7 mtp -76.21 114.78 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.01 149.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -108.66 -30.32 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -55.25 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 103' ' ' VAL . 19.1 mmtt -126.2 3.5 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' LYS . . . 37.66 27.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 1.2 p -75.55 -8.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 104' ' ' PHE . 4.2 p90 -156.78 164.37 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.55 130.41 14.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.5 mm -82.42 107.73 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 20.7 t -96.45 118.59 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.21 164.2 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.6 mmm -130.76 152.77 49.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -54.11 -79.96 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -111.15 168.79 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.58 -37.57 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.02 -39.36 68.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.66 -55.99 14.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 65' ' ' LEU . 26.1 ttp180 -53.88 -38.77 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.57 -44.21 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.96 -54.91 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.32 -45.66 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.77 -30.54 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -97.78 50.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 3.5 tm0? -115.83 143.14 45.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -58.4 -72.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 6.8 tm0? -137.0 122.96 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -83.87 120.0 25.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 t -146.24 121.29 10.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.49 HD12 ' CG ' ' A' ' 85' ' ' TYR . 17.1 tp -91.71 99.11 12.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.16 27.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.96 -39.74 2.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.23 115.16 6.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -67.08 143.73 56.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.68 133.45 38.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -95.02 90.0 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.33 127.91 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -139.95 149.2 58.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.64 158.16 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -120.09 95.72 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -154.14 169.53 23.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -116.15 139.91 49.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -68.23 171.57 6.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -145.73 122.63 11.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -68.24 136.64 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -174.97 133.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 59.7 m -151.54 144.23 16.76 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.654 0.74 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.16 173.89 13.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -167.51 176.36 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.0 t -65.27 109.15 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -58.53 138.61 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 59.8 p -82.2 150.55 64.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.659 0.742 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.95 121.48 5.86 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 169.13 9.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.49 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -124.28 88.82 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.1 t -94.24 96.53 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.1 -110.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t 63.47 41.1 7.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.4 p 40.23 43.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.46 81.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' C ' HD12 ' A' ' 65' ' ' LEU . 4.5 pp -57.64 165.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -116.56 80.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -164.99 145.75 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.2 m -120.91 139.03 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.485 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 79.8 t80 -83.49 123.82 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.1 t -120.89 125.73 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.0 p -149.1 153.81 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 33.25 7.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -93.47 156.99 39.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.64 144.04 24.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -50.66 156.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.87 -41.3 2.74 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.408 ' CG1' ' HG ' ' A' ' 82' ' ' LEU . 95.3 t -44.74 120.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -106.29 148.32 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.0 p -39.28 -59.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.56 -53.41 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' LEU . 56.1 mt-30 -52.77 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 81' ' ' GLN . 29.1 mt -37.02 -50.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 t -53.18 -61.63 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -46.43 -36.54 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -76.8 -29.4 56.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -87.64 -1.77 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.5 mt -78.34 -16.09 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.47 -18.57 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -115.1 -27.83 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.74 164.73 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.56 125.41 8.94 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -87.14 120.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.19 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -167.41 151.25 6.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.25 96.04 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.34 97.95 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.64 145.28 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.75 150.9 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -115.65 -42.17 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.38 -47.3 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -121.92 -54.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.72 64.81 1.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.31 -40.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.485 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 13.2 p90 -120.15 163.57 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -159.78 135.42 8.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.9 mm -87.8 112.98 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.6 t -100.04 98.13 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.48 150.35 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 53.0 mmm -114.35 167.78 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -69.04 -69.92 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -121.23 178.71 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.9 p -59.26 -42.32 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.25 -39.16 58.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.96 55.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.2 -38.65 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.85 -52.49 63.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.45 -46.92 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.53 -42.01 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -88.15 41.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.583 HE22 ' N ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -106.92 163.12 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.0 m -99.02 -74.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.476 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 51.7 mt-30 -130.55 109.17 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.583 ' N ' HE22 ' A' ' 121' ' ' GLN . 67.3 m-70 -71.63 154.62 41.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.4 p -169.9 120.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.8 tp -93.15 87.04 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.66 44.35 79.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.73 -39.18 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.27 163.54 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -110.31 148.52 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.98 156.75 48.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -120.66 88.99 3.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.6 t -101.77 136.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 157.07 32.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 108.4 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -41.82 114.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.63 160.16 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -145.63 165.42 28.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -129.99 162.98 27.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.81 150.56 21.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -113.44 171.61 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -38.59 144.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.9 p -125.57 92.64 46.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.87 -49.86 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.74 2.293 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -174.6 108.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.1 t -79.54 101.34 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.64 127.47 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 56.0 p -126.04 96.64 36.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.16 154.95 47.14 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.399 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -116.2 99.52 7.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.6 p -51.69 133.61 30.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.4 p -108.08 168.79 9.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.34 57.93 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.6 p -148.92 162.7 39.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 m -61.91 -52.26 64.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.66 57.97 1.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.63 149.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -91.39 43.92 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 p -110.34 156.92 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 18.7 m -141.07 129.08 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.553 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 18.6 t80 -85.67 117.26 24.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.427 HG22 ' CG2' ' A' ' 107' ' ' VAL . 59.2 t -110.89 125.81 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 18.5 t -145.16 150.33 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.34 32.29 5.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -93.41 144.3 28.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.678 0.751 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.61 165.61 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -75.83 125.93 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 110.09 -37.96 3.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' GLY . 99.5 t -36.4 136.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -129.11 158.18 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.7 t -43.78 -42.42 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.64 -57.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -62.37 -57.47 11.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.9 mt -42.51 -52.42 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -51.93 -50.32 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -56.33 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.441 ' CG ' HD12 ' A' ' 126' ' ' LEU . 15.5 t80 -66.3 -22.86 66.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.472 ' CE2' HG21 ' A' ' 107' ' ' VAL . 30.8 m-85 -89.52 -23.57 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.04 -24.08 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 -18.78 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 121' ' ' GLN . 62.5 m-85 -116.09 -31.22 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.52 162.02 28.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.07 137.11 28.42 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.5 t -97.91 121.54 48.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.61 -49.64 62.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.5 m -163.59 159.36 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.7 120.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.4 t -104.76 102.43 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 32.2 mmm -87.14 129.92 34.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 104' ' ' PHE . 36.8 t70 -45.55 116.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 10.55 18.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -93.94 -57.25 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -123.26 -67.59 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.72 2.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 98' ' ' ASP . 14.1 p90 -158.45 166.99 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.05 148.21 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.83 95.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.472 HG21 ' CE2' ' A' ' 86' ' ' PHE . 37.8 t -76.6 136.63 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.485 ' OE1' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -114.17 134.43 54.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 51.9 mmm -102.82 128.92 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' MET . . . -35.84 -72.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.58 179.29 4.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.43 -47.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -46.75 -43.93 16.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.93 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 36.2 ttp85 -65.66 -46.95 77.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.75 -45.26 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.61 -59.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -44.11 -52.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 28.9 mt -62.39 -27.43 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -98.8 41.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 tt0 -108.22 152.17 24.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m -65.63 -74.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 91.7 mt-30 -132.56 127.13 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -88.61 129.65 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 84.1 p -157.32 149.33 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.441 HD12 ' CG ' ' A' ' 85' ' ' TYR . 13.7 tp -105.69 -55.68 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.81 71.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.96 -38.65 3.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.499 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -108.75 172.82 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -108.95 148.42 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.06 115.51 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.86 80.01 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -80.72 129.22 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -141.38 153.82 66.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.33 108.11 2.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.96 112.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -138.93 136.41 35.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -135.21 148.51 49.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -134.99 154.78 51.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -99.18 124.55 44.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -45.73 -54.45 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -135.81 111.44 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.0 t -68.56 142.25 93.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.57 130.45 9.84 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.367 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -43.49 142.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 33.4 t -127.88 142.01 51.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.7 121.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 76.9 p -96.27 152.33 38.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.9 171.54 17.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -48.98 -33.75 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.3 p -70.72 -49.38 47.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 t -70.04 115.95 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.52 117.46 1.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.7 m -85.25 -55.74 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.6 p -74.69 123.33 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.27 105.44 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.14 -175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.35 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -106.52 59.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 m -106.61 155.57 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.07 147.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -94.02 118.08 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.8 t -113.26 141.9 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.8 p -165.28 138.25 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.78 24.69 1.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -89.66 155.41 48.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.24 -179.67 5.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -83.36 148.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.44 27.38 48.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 78' ' ' ASP . 77.7 t -97.67 134.4 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.8 m-20 -110.25 134.98 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 78' ' ' ASP . 77.3 p -35.66 -33.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . . . -60.1 -56.35 22.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -50.11 -51.63 41.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.54 -61.77 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.9 p -45.67 -57.57 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -46.75 -41.67 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.419 ' CD1' HD11 ' A' ' 126' ' ' LEU . 28.2 t80 -71.99 -25.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -91.69 -2.82 56.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.2 mt -84.47 -11.91 55.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.28 -6.53 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -124.9 -34.65 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.37 165.51 37.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.46 123.74 9.76 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 63.1 t -89.06 109.05 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.63 -48.28 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -170.03 167.23 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.37 130.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.6 t -116.11 90.35 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.5 ptm -99.98 128.61 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -49.44 156.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -120.81 -42.27 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.89 -55.34 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -113.05 -54.16 2.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.76 68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 1.94 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -156.12 153.52 29.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.32 127.7 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.8 mm -88.3 103.77 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.9 t -92.4 122.1 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -105.44 163.56 12.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -124.12 -176.7 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -88.26 -47.79 4.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.49 174.77 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.438 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 9.2 p -58.5 -35.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.03 89.29 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.71 -52.77 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -63.59 -26.38 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.61 -37.21 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.97 -50.04 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.34 -52.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.05 -35.5 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.8 t -91.64 42.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.49 138.73 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.7 m -47.41 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -140.04 125.23 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.415 ' CD2' ' HB ' ' A' ' 133' ' ' VAL . 62.1 m-70 -79.67 120.8 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.2 t -147.65 128.33 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.419 HD11 ' CD1' ' A' ' 85' ' ' TYR . 22.4 tp -94.81 79.77 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 45.13 61.37 3.55 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.48 -53.68 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -72.31 167.42 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -125.91 127.69 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 39.9 mt -109.12 150.79 27.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -108.42 78.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.415 ' HB ' ' CD2' ' A' ' 124' ' ' HIS . 32.5 t -80.31 120.72 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -126.98 155.98 74.91 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.697 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.67 114.29 3.82 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -42.39 -53.34 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -105.56 161.4 14.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -122.2 -179.16 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -154.44 118.1 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.45 -51.45 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -73.9 140.03 45.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.85 163.74 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 28.7 p -131.57 144.3 52.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.88 109.13 2.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.13 -27.34 53.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 t -72.32 128.87 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.38 159.08 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 87.8 p -122.68 92.95 48.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.67 0.748 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.81 102.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -142.18 149.73 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.3 m -77.56 153.95 32.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 p -116.28 118.39 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -122.05 170.87 15.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.6 m -89.82 -68.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 0.0 110.824 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 p -161.8 158.11 25.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.05 109.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.43 154.36 31.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 -130.38 33.68 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.4 p -115.42 153.55 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.1 m -141.84 135.95 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -82.06 111.92 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.8 142.61 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.7 t -165.62 175.74 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.78 33.23 27.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -98.27 154.63 37.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.56 130.86 13.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.276 . . . . 0.0 112.389 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -42.52 145.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.57 -31.61 8.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.81 143.68 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -126.0 168.07 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.0 p -58.15 -41.48 83.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -66.35 -54.64 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.79 -56.43 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.6 p -48.44 -56.01 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.72 -27.98 44.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -83.15 -26.07 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.11 -14.05 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 30.3 mt -66.57 -32.37 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.19 -15.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -119.42 -38.19 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.13 160.49 32.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.31 123.28 9.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 83.7 t -81.52 105.23 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -47.72 -45.35 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -170.72 156.88 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.1 t -129.66 97.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.11 105.69 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.9 mmm -88.32 132.62 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.556 ' OD2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 t70 -51.56 136.26 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HA ' ' NZ ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -100.36 -44.09 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.65 -51.25 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -123.92 -52.33 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 41.93 4.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.52 -38.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CZ ' ' OD2' ' A' ' 98' ' ' ASP . 7.5 p90 -119.41 176.0 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -160.26 144.93 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.03 114.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.5 t -103.3 124.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -104.03 172.03 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.4 mmm -133.43 161.58 34.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.95 -64.11 2.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.43 160.67 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.88 -30.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.72 96.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.15 -53.27 60.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -53.76 -46.92 71.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -57.43 -49.44 76.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.81 -63.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 73.6 t -44.96 -46.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.57 -41.22 98.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.2 t -87.27 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.597 ' NE2' ' H ' ' A' ' 122' ' ' SER . 0.0 OUTLIER -104.25 125.47 50.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.597 ' H ' ' NE2' ' A' ' 121' ' ' GLN . 1.8 m -42.76 -70.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.51 136.18 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' HIS . . . . . 0.459 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 77.6 m-70 -100.13 132.34 45.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 98.4 p -160.32 136.35 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.13 39.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.8 66.57 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 140.72 -60.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -106.18 165.58 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -95.58 158.87 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.8 mt -129.85 165.03 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -129.6 73.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.6 127.92 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -141.74 153.07 64.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.56 135.95 20.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -75.82 67.07 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -96.38 122.78 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 139' ' ' LYS . 3.5 pm0 -118.14 133.09 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 138' ' ' GLN . 38.4 mtmt 35.85 46.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -141.66 143.91 33.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -164.18 127.37 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 53.77 46.24 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 18.4 t -48.33 143.69 6.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.684 0.754 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -78.23 -10.3 16.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -91.8 93.02 8.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 m -82.94 -50.44 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -145.24 142.33 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 53.1 m -81.2 144.17 53.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.39 130.8 11.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -93.21 -51.35 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -142.34 166.59 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG23 ' HB ' ' A' ' 107' ' ' VAL . 34.1 m -144.73 149.88 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 19.8 t80 -99.31 115.67 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -113.44 130.48 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -157.21 173.49 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.32 59.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -79.45 156.82 75.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.08 -178.24 4.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -81.56 130.03 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.88 -30.49 5.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.425 ' CG1' ' HG ' ' A' ' 82' ' ' LEU . 67.6 t -57.03 136.32 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 p -66.85 -47.63 71.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.11 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.0 -61.79 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HG ' ' CG1' ' A' ' 77' ' ' VAL . 34.4 mt -42.04 -56.26 2.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 95' ' ' VAL . 4.0 m -48.62 -53.02 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -52.74 -41.97 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.86 -24.95 65.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.62 7.85 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.26 -8.7 50.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.18 -7.02 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.33 -35.76 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.59 179.66 46.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.75 118.61 4.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 108' ' ' GLU . 97.1 t -92.89 131.0 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.09 -54.11 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 m -174.93 169.9 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.486 HG23 ' OG ' ' A' ' 83' ' ' SER . 78.0 t -124.77 99.59 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.8 t -83.14 90.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.0 ptm -100.02 135.12 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.64 133.87 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -98.36 -38.9 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -51.45 -48.18 62.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -119.91 -55.44 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.76 72.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.494 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 104' ' ' PHE . 26.8 m -126.85 -46.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 27.6 p90 -114.48 157.78 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.93 122.41 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.5 mm -80.87 103.15 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.512 ' HB ' HG23 ' A' ' 68' ' ' VAL . 58.3 t -84.55 112.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.699 ' O ' HG13 ' A' ' 92' ' ' VAL . 18.2 mt-10 -93.01 155.55 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.694 ' SD ' HG22 ' A' ' 92' ' ' VAL . 31.0 mmm -128.95 153.85 47.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.65 -73.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.54 159.53 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.2 p -53.54 -43.87 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.443 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -51.07 -47.2 49.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.427 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.91 -55.09 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -58.17 -31.22 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.28 -34.53 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.97 -27.01 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.53 -41.96 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 135' ' ' PRO . 30.8 mt -61.75 -33.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 t -88.74 39.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.554 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 20.6 tm0? -110.88 144.43 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m -64.49 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 15.1 mp0 -135.02 143.96 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 47.2 m80 -110.44 149.67 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 p -163.97 146.61 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' A' ' 131' ' ' LEU . 16.1 tp -118.33 73.88 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.46 43.73 18.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.76 -52.62 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -60.85 158.01 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -100.54 141.48 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 126' ' ' LEU . 68.6 mt -118.71 134.55 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -85.05 61.73 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.6 125.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.68 153.94 72.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.8 ' HB3' HD21 ' A' ' 119' ' ' LEU . 61.3 Cg_endo -76.56 47.59 2.15 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 135' ' ' PRO . 11.9 ttp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.337 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 p -171.88 146.58 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 m -148.49 134.83 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 31.1 t80 -83.08 100.16 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.97 116.83 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.2 p -143.59 170.66 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.09 24.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -98.43 147.68 33.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.68 176.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -91.27 117.14 29.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.03 -33.02 4.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.19 120.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.498 ' OD2' ' HB3' ' A' ' 80' ' ' ALA . 20.6 p-10 -102.9 154.0 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -43.07 -39.71 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HB3' ' OD2' ' A' ' 78' ' ' ASP . . . -51.29 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -49.87 -63.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.3 mt -40.47 -49.73 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -51.24 -59.14 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.75 -28.86 51.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -80.52 -24.71 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -93.57 -12.6 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.84 -19.11 62.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.81 -10.61 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -124.62 -28.31 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.65 162.36 28.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.25 126.98 9.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.56 108.43 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.12 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -161.32 162.63 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.77 127.59 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.1 t -118.69 96.89 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.8 ptp -99.62 140.08 34.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.92 155.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 -4.64 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -93.77 -58.04 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -105.89 -40.16 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.93 54.66 6.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.5 12.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 15.7 p90 -165.61 157.36 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.12 140.03 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.5 mm -95.48 105.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 77.8 t -94.48 136.22 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.93 159.02 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.5 mmm -125.65 144.51 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -53.25 -74.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -100.42 160.7 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.2 p -55.02 -44.47 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.475 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -54.42 -50.85 55.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -42.51 -45.74 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -62.54 -36.28 82.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.62 -50.63 72.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.86 -58.2 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.418 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 35.7 t -49.58 -46.38 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 119' ' ' LEU . 23.2 mt -65.05 -33.48 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -98.87 43.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 144.51 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.8 m -50.88 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -140.02 121.57 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.418 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 79.1 m-70 -80.48 119.8 23.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -147.84 136.33 21.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.5 ' HB2' HD11 ' A' ' 131' ' ' LEU . 12.3 tp -98.04 49.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.49 82.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.76 -61.36 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -98.66 176.36 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -109.47 168.77 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 126' ' ' LEU . 88.0 mt -137.79 135.62 36.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -99.58 97.03 8.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.7 t -107.12 117.69 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -131.74 144.49 53.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.59 135.78 12.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 17.4 mtm105 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -81.16 155.23 26.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 m -135.49 155.81 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -97.76 117.04 31.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 133' ' ' VAL . 77.3 t -116.3 137.06 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -160.86 160.61 31.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.08 31.15 9.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -95.23 146.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.436 ' HB2' HG23 ' A' ' 77' ' ' VAL . 71.0 Cg_exo -45.56 143.72 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.28 124.09 20.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 111.42 -37.72 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 74' ' ' PRO . 98.7 t -36.86 137.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -109.47 172.28 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -62.28 -46.44 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.3 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.49 -61.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -46.6 -55.5 7.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 p -45.8 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 87' ' ' LEU . 6.2 tt0 -46.55 -58.96 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.14 -21.45 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -91.68 -11.39 37.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 84' ' ' GLU . 43.4 mt -78.34 -5.49 52.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.5 -9.84 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -122.3 -30.89 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.83 167.83 38.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' GLY . 61.7 Cg_endo -76.65 125.44 8.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 108' ' ' GLU . 55.6 t -88.84 119.88 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -167.39 169.44 12.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.3 115.95 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.74 121.15 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 52.3 mtp -115.13 132.53 56.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -55.03 125.33 20.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -89.9 -34.82 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -57.12 -54.83 42.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -112.85 -57.7 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.68 44.85 3.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.56 -36.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -111.9 161.95 15.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -155.1 134.91 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.489 HD12 ' CD ' ' A' ' 136' ' ' ARG . 31.1 mm -93.03 113.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.41 119.75 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.867 ' O ' HG13 ' A' ' 92' ' ' VAL . 31.0 tt0 -103.02 146.83 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -112.29 172.21 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' PRO . . . -74.35 -75.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -104.92 169.2 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.05 -25.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.48 -34.08 78.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.19 -46.23 88.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -61.86 -50.74 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -48.61 -51.78 26.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.57 -59.35 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.35 -49.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.35 -23.55 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -97.33 36.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 20.4 tm0? -109.34 148.85 30.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.3 m -69.36 -73.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.401 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 41.9 mt-30 -134.03 130.66 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -95.18 149.61 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -167.79 149.64 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.6 tp -119.43 58.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.62 92.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.77 -53.25 4.82 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -84.06 159.63 21.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 131' ' ' LEU . 23.2 ttm180 -116.92 147.65 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.419 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 73.4 mt -114.03 144.81 42.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -109.82 86.06 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 70' ' ' VAL . 60.0 t -94.9 135.08 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -148.72 152.38 37.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.65 126.47 8.86 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.489 ' CD ' HD12 ' A' ' 106' ' ' ILE . 3.4 tpm_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 115' ' ' ARG . 29.7 mtt180 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.781 0.324 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -127.39 169.54 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 m -150.25 137.97 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 88.7 t80 -85.87 106.82 17.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.5 t -99.46 124.68 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.1 m -151.36 156.04 39.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.07 32.36 6.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -98.91 156.54 35.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.725 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.01 162.99 31.44 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.18 146.35 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.97 -35.05 5.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.88 142.69 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.075 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -127.12 171.85 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 p -56.54 -38.88 72.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.87 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.3 -56.76 17.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -48.86 -50.49 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -50.28 -61.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.5 tt0 -52.4 -26.45 12.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -81.13 -26.79 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -96.4 -10.9 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 84' ' ' GLU . 22.3 mt -67.61 -19.67 65.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.55 -19.89 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.504 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 23.3 m-85 -113.08 -22.62 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.05 160.4 22.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.4 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -76.0 127.3 9.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 0.0 112.362 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -86.9 121.87 38.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.99 -48.14 46.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 m -156.22 168.17 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -145.37 117.32 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.22 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.3 ptp -100.71 151.11 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -66.94 140.37 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -109.92 -15.36 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.51 -45.85 43.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -130.11 -48.93 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.39 60.2 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.413 HG23 ' HD2' ' A' ' 104' ' ' PHE . 23.8 m -121.21 8.41 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.527 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 39.0 p90 -169.11 158.13 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.3 136.47 11.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 mm -91.51 109.89 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.68 125.15 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -109.87 160.39 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.484 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 12.8 mmm -116.85 172.24 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.43 -39.39 12.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -133.56 169.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 113' ' ' GLY . 14.4 p -61.66 -41.69 91.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -51.92 -46.7 55.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -57.62 -57.34 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 66' ' ' ARG . 2.1 tmm_? -49.68 -27.23 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -79.58 -44.94 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.58 -60.82 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 49.4 t -49.87 -46.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.02 -32.75 74.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -98.11 47.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 1.3 tm0? -106.14 133.26 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.5 p -45.68 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 68.0 mt-30 -137.43 124.95 22.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -85.51 129.94 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -154.35 140.81 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.511 ' HB2' HD11 ' A' ' 131' ' ' LEU . 29.2 tp -115.3 85.71 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.44 49.9 62.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.29 -52.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -64.36 140.06 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -90.23 145.05 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 126' ' ' LEU . 56.6 mt -116.48 158.95 22.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -116.39 96.27 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.5 t -108.95 144.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -155.46 150.89 21.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.66 136.94 12.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.1 m -130.2 130.02 44.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 149.16 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -91.57 117.4 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 59.7 t -113.24 143.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 p -169.03 156.9 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.59 18.92 10.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -90.22 144.03 30.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.54 172.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -84.91 119.81 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 114.59 -35.68 4.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' GLY . 94.4 t -36.16 130.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -108.17 160.49 15.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ALA . 38.2 m -51.57 -53.54 37.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' SER . . . -34.06 -55.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.59 -46.54 89.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.73 -60.83 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.0 p -41.75 -52.32 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.3 tt0 -54.95 -49.96 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.559 ' CG ' HD13 ' A' ' 126' ' ' LEU . 35.9 t80 -60.21 -36.87 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 28.3 m-85 -74.49 -32.3 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 91' ' ' PRO . 32.8 mt -55.13 -37.13 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.09 -25.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.44 -40.7 5.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.41 155.03 19.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.464 ' HA ' HD23 ' A' ' 87' ' ' LEU . 71.3 Cg_exo -45.76 155.1 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -122.31 88.69 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -38.09 -49.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -171.99 163.56 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.418 HG12 ' HG2' ' A' ' 97' ' ' MET . 91.8 t -129.68 102.54 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.37 93.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.418 ' HG2' HG12 ' A' ' 95' ' ' VAL . 39.2 mmm -82.74 141.34 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 23.0 t0 -63.1 149.37 45.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -114.54 -44.51 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.23 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -91.06 -57.34 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.09 41.85 6.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.55 -16.17 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.435 ' CE1' ' CG ' ' A' ' 98' ' ' ASP . 15.6 p90 -132.07 176.27 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.411 ' HB2' ' SD ' ' A' ' 97' ' ' MET . . . -168.68 134.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -87.0 112.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 86' ' ' PHE . 92.4 t -102.45 119.37 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.51 151.64 19.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.7 mmm -116.5 149.5 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -43.7 -77.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.62 179.56 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 113' ' ' GLY . 8.2 p -61.67 -40.18 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -52.45 -45.68 58.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -56.61 19.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.524 ' HE ' HD11 ' A' ' 119' ' ' LEU . 22.5 ttt180 -52.92 -39.06 62.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.64 -50.07 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.16 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.2 t -44.47 -47.27 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.524 HD11 ' HE ' ' A' ' 115' ' ' ARG . 46.2 mt -62.96 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 m -96.33 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.645 HE22 ' H ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -111.29 135.66 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.519 ' N ' ' CD ' ' A' ' 121' ' ' GLN . 27.3 p -45.16 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.645 ' H ' HE22 ' A' ' 121' ' ' GLN . 12.7 mm100 -136.7 149.48 47.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 77.8 m-70 -109.79 125.68 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 88.3 p -153.12 126.68 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.559 HD13 ' CG ' ' A' ' 85' ' ' TYR . 62.9 tp -87.62 84.54 7.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.92 39.31 78.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 119.24 -53.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -53.42 167.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -115.79 127.27 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 82.6 mt -114.83 134.99 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -99.7 84.04 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.04 131.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -146.86 143.94 19.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.57 149.41 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 26.0 mtm105 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -126.02 136.1 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 107' ' ' VAL . 15.7 m -125.18 139.43 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 51.5 t80 -82.33 109.2 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.66 137.49 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.0 p -162.31 178.61 8.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.15 35.43 49.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -99.67 151.26 37.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 172.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' CB ' HH11 ' A' ' 75' ' ' ARG . 5.4 ttp-105 -91.37 113.76 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.64 -21.12 7.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.6 t -49.01 136.0 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.345 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -113.17 147.72 36.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.0 m -43.01 -36.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.46 96.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.68 -51.51 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.89 -54.25 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.409 ' HA ' HG21 ' A' ' 92' ' ' VAL . 58.7 p -46.84 -53.92 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.608 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -49.68 -46.71 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -70.36 -25.06 63.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -90.16 -8.49 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 84' ' ' GLU . 32.4 mt -76.98 -12.33 59.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.62 -14.16 60.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 44.1 m-85 -122.56 -21.19 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.542 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 172.21 161.81 23.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.544 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.4 Cg_endo -76.22 121.16 5.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 83' ' ' SER . 98.8 t -77.07 109.41 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.28 -49.67 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -165.84 163.63 18.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.86 129.95 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.94 102.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.47 148.37 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.61 127.51 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -90.03 -1.02 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.11 -58.7 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -121.36 -28.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.59 53.25 8.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 m -101.75 -38.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 30.7 p90 -123.37 156.58 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.85 143.82 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -97.82 104.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 68' ' ' VAL . 97.6 t -95.92 115.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -88.76 172.68 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mmm -136.14 153.15 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.01 -73.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.18 162.18 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.49 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.22 -48.15 76.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.542 ' HB1' ' HA3' ' A' ' 90' ' ' GLY . . . -53.63 -48.46 69.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -59.62 -43.18 93.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.75 -38.05 86.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.94 52.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -53.45 -53.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.58 -34.07 72.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 m -88.21 28.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.558 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp60 -101.64 145.94 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.8 m -61.61 -73.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -134.9 147.81 49.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 95.4 m-70 -113.04 140.19 48.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.0 p -156.11 137.52 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 18.3 tp -102.21 72.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 88.86 -53.79 4.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -150.78 -41.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -75.12 169.53 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -108.88 133.86 52.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.6 mt -100.31 154.5 18.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -110.81 99.83 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -150.3 152.55 33.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.642 0.734 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.64 139.54 10.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.83 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.2 m -128.26 178.0 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 m -153.09 142.4 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 51.5 t80 -80.39 125.26 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.27 123.87 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -151.89 -177.87 6.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.17 33.94 61.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -98.44 156.67 35.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.599 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.7 Cg_endo -76.71 138.91 19.52 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 157.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.48 -30.68 6.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 74' ' ' PRO . 59.3 t -63.64 130.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -117.22 160.05 21.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 m -43.47 -51.02 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.81 -64.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -46.29 -47.69 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.87 -61.43 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.3 p -43.27 -57.08 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.2 tt0 -51.36 -41.14 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -71.09 -26.3 62.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' A' ' 107' ' ' VAL . 10.5 m-85 -91.3 -15.86 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 84' ' ' GLU . 28.3 mt -65.24 -21.61 66.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.47 -15.69 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -117.49 -32.54 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.73 162.14 30.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.485 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -75.12 134.3 17.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 108' ' ' GLU . 69.3 t -97.27 121.1 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.517 ' HB3' ' HG2' ' A' ' 108' ' ' GLU . . . -67.22 -46.71 73.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.5 m -165.95 154.72 11.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.4 t -124.19 118.62 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.35 107.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.459 ' HG2' ' CB ' ' A' ' 105' ' ' ALA . 33.8 mtp -105.73 124.16 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.55 129.26 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -100.91 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.24 -46.48 82.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -118.87 -57.66 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.63 60.64 1.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 104' ' ' PHE . 19.2 m -124.27 -42.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 0.0 111.094 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.426 ' N ' HG23 ' A' ' 103' ' ' VAL . 11.3 p90 -116.04 164.45 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 97' ' ' MET . . . -154.85 130.31 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.86 113.12 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 86' ' ' PHE . 35.1 t -97.34 115.27 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 92' ' ' VAL . 27.0 tt0 -93.64 150.97 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 50.8 mmm -115.66 161.34 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.81 -80.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -111.39 174.9 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.93 -40.77 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.58 83.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -53.59 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -50.09 -46.5 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -53.5 -52.75 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.33 -51.93 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.4 t -65.23 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.99 -16.2 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 t -98.95 30.05 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.466 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 10.4 tp60 -113.2 107.2 15.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.5 p -40.8 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.62 142.69 49.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 84.6 m-70 -106.67 144.23 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.4 p -156.29 137.95 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 127' ' ' GLY . 40.4 tp -112.53 103.5 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 126' ' ' LEU . . . 36.0 57.21 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.471 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.89 -49.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' HIS . . . . . 0.449 ' CG ' ' HG3' ' A' ' 74' ' ' PRO . 28.6 m-70 -60.4 176.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -135.5 121.65 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 17.4 mt -103.31 157.82 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -116.14 81.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.85 137.87 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.89 147.89 8.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.6 121.89 4.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -128.31 165.42 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 m -144.83 153.51 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -95.94 114.73 26.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -112.45 144.17 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.3 p -173.17 178.25 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.88 25.46 55.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -88.04 157.61 50.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.98 129.51 10.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -43.68 121.68 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.18 -10.79 6.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -73.38 134.29 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -116.57 141.9 47.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -36.96 -34.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.53 77.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' ASP . 60.9 mt-30 -61.45 -48.78 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.26 -59.17 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -44.98 -52.13 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.72 -46.49 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.1 t80 -61.12 -23.17 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 107' ' ' VAL . 29.1 m-85 -93.0 -23.69 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 87' ' ' LEU . 19.9 mt -62.65 -15.39 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.12 -24.09 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.46 -26.14 9.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.48 166.06 33.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.12 134.83 19.99 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.637 2.225 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.4 t -96.23 112.42 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.3 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -167.85 162.38 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.83 120.64 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.69 110.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 35.3 mtp -101.39 132.96 46.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CG ' ' CE2' ' A' ' 104' ' ' PHE . 9.6 t70 -57.46 171.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -128.13 -40.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.34 -51.35 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -125.5 -37.58 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.94 47.3 11.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.69 11.83 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 98' ' ' ASP . 25.8 p90 -159.24 155.81 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -154.94 144.04 21.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -93.51 108.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 86' ' ' PHE . 51.6 t -93.57 131.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.88 173.34 6.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 10.5 mtp -141.84 152.13 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.48 -72.79 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.67 169.51 10.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 113' ' ' GLY . 10.1 p -71.35 -42.34 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -53.26 -41.88 62.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.546 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -39.85 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -63.29 -38.55 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.82 -55.51 29.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -39.11 -60.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.412 HG13 ' CE1' ' A' ' 124' ' ' HIS . 54.2 t -45.6 -48.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.7 t -87.19 35.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -104.82 122.12 45.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.466 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 69.2 m -35.62 -74.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -138.59 136.54 36.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.412 ' CE1' HG13 ' A' ' 118' ' ' VAL . 61.1 m-70 -91.99 134.65 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.403 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 1.4 t -157.99 137.72 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.9 tp -99.6 77.97 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 47.51 54.51 10.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.16 -64.73 0.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -68.11 161.76 26.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -109.33 159.96 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.4 mt -132.65 172.62 12.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.03 90.95 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 17.0 t -100.22 129.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -135.5 147.37 61.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 136' ' ' ARG . 70.9 Cg_exo -45.66 115.01 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 135' ' ' PRO . 30.8 tpt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 p -164.63 143.34 6.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 68' ' ' VAL . 9.8 m -131.96 128.14 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.48 108.09 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.29 131.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 p -155.2 164.42 38.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.95 19.32 51.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.465 ' HB2' HG21 ' A' ' 77' ' ' VAL . 8.8 p90 -80.82 152.11 71.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.484 ' HD2' HG21 ' A' ' 77' ' ' VAL . 71.3 Cg_exo -45.56 166.11 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -89.04 93.48 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.62 6.38 3.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.484 HG21 ' HD2' ' A' ' 74' ' ' PRO . 71.9 t -61.69 155.01 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.448 ' N ' HG12 ' A' ' 77' ' ' VAL . 35.8 t0 -116.32 163.3 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -64.55 -42.18 95.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.07 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -53.97 -57.93 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.2 mt -48.41 -64.06 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.518 ' HA ' HG21 ' A' ' 92' ' ' VAL . 2.2 m -42.79 -52.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 87' ' ' LEU . 7.8 tt0 -48.1 -58.26 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -55.67 -20.66 14.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.5 -15.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 91' ' ' PRO . 35.8 mt -70.16 -11.69 61.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.74 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -122.2 -19.6 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.4 160.67 21.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.559 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.6 Cg_endo -74.38 121.79 7.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.518 HG21 ' HA ' ' A' ' 83' ' ' SER . 73.2 t -80.57 116.63 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.6 m -167.1 161.83 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.3 t -124.04 115.06 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.86 114.57 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 56.2 mtp -107.99 141.17 40.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.76 138.17 58.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -98.46 -27.36 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.18 -58.99 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -118.03 -53.88 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.51 45.13 2.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.22 -2.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -149.49 160.0 43.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -151.91 132.41 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 mm -89.79 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 72.8 t -89.39 141.98 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -119.27 158.6 25.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 mmm -117.54 169.04 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.35 -56.14 3.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -119.36 162.57 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.352 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.4 p -57.52 -41.05 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.407 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -56.08 -35.23 63.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.499 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.725 ' HE ' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -53.07 -37.13 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -60.07 -50.85 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.85 -55.97 7.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.99 -53.65 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.725 HD11 ' HE ' ' A' ' 115' ' ' ARG . 21.2 mt -54.08 -43.98 70.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -89.75 45.34 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -113.37 154.48 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.1 p -66.15 -73.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -137.69 165.32 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -133.33 137.38 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 p -150.14 142.0 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.8 tp -110.14 82.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.7 58.61 9.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 99.34 -53.53 1.02 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -61.6 179.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -123.17 152.1 41.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.2 mt -130.46 137.68 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -108.43 82.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.39 124.11 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -141.09 145.07 37.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 127.15 9.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.226 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 t -124.24 156.24 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.49 148.26 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -90.26 121.53 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 133' ' ' VAL . 98.3 t -120.97 146.09 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.5 p -168.06 -179.61 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.89 29.65 58.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -92.93 147.47 34.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.705 0.764 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.92 177.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -91.66 113.07 25.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.12 -24.05 7.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -42.63 125.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 79' ' ' SER . 3.5 m-20 -107.63 141.81 38.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 78' ' ' ASP . 4.1 m -35.37 -52.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.87 -60.53 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.18 -54.89 25.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.82 -61.64 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -47.76 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.6 -47.94 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CG ' ' CD1' ' A' ' 126' ' ' LEU . 25.9 t80 -59.94 -27.89 67.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -84.9 -27.89 26.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 91' ' ' PRO . 31.2 mt -59.11 -13.03 5.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.15 -14.89 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -121.23 -35.28 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.7 166.2 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.467 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.4 Cg_endo -74.14 137.35 23.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.232 . . . . 0.0 112.337 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 108' ' ' GLU . 85.4 t -102.38 116.49 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.72 64.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -163.32 160.45 23.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.69 112.75 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.79 105.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.552 ' HG2' ' HB2' ' A' ' 105' ' ' ALA . 7.2 mtp -99.42 135.17 41.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.459 ' OD1' ' CZ ' ' A' ' 104' ' ' PHE . 9.1 t70 -56.84 150.03 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.25 -29.97 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -52.03 -53.69 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -129.69 -46.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.82 59.17 1.14 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.426 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.61 2.64 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 23.5 p90 -156.64 164.91 37.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' ' 97' ' ' MET . . . -161.19 139.71 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.2 mm -91.9 108.4 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.5 t -94.11 116.12 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.747 ' O ' HG13 ' A' ' 92' ' ' VAL . 27.0 tt0 -101.32 150.34 23.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.5 mtp -115.22 162.07 17.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.38 -80.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.62 178.72 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.08 -36.1 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.52 -44.48 90.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.41 91.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.076 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -61.36 -31.57 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.3 -56.87 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -40.5 -61.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.0 t -50.99 -48.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.81 -25.15 60.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 t -95.17 41.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.421 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 22.1 tm0? -113.85 140.58 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 m -60.93 -74.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.421 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 40.4 mt-30 -133.75 121.42 21.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -81.2 134.11 35.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -154.21 131.98 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.562 ' CD1' ' CG ' ' A' ' 85' ' ' TYR . 14.2 tp -93.31 48.48 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.55 89.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 103.82 -52.15 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -105.3 160.39 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -102.88 160.65 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 77.1 mt -130.44 133.79 46.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -89.72 79.19 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 70' ' ' VAL . 53.3 t -93.88 128.81 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -152.01 150.67 26.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.68 128.28 10.63 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 p -159.11 157.43 31.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.43 HG23 ' HB ' ' A' ' 107' ' ' VAL . 6.7 m -150.82 129.49 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 71.2 t80 -86.9 110.11 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 133' ' ' VAL . 78.5 t -104.31 133.5 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 t -160.95 155.56 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 28.97 5.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -95.7 151.37 38.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.95 154.47 38.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -63.26 133.74 54.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.94 -36.18 3.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -49.23 131.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -109.87 146.56 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.8 p -39.86 -45.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.01 63.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.57 -46.09 89.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.54 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.8 p -59.33 -57.76 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.74 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.8 tt0 -50.64 -46.62 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -63.43 -39.44 94.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.53 -23.54 56.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 84' ' ' GLU . 29.7 mt -64.87 -14.85 60.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.73 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.4 -26.46 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.407 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 177.83 161.65 26.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.527 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.5 Cg_endo -73.69 122.27 7.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.69 99.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.53 -48.34 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -166.74 156.51 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.467 HG12 ' HG2' ' A' ' 97' ' ' MET . 85.6 t -122.59 101.09 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.52 93.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.467 ' HG2' HG12 ' A' ' 95' ' ' VAL . 39.7 mmm -85.06 117.51 24.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -38.69 143.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -116.32 -19.02 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.08 -61.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -108.65 -56.71 2.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 49.81 1.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.97 0.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 14.8 p90 -148.67 159.29 44.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.49 136.44 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.691 HD12 ' HE ' ' A' ' 136' ' ' ARG . 4.9 mm -92.55 108.41 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.43 ' HB ' HG23 ' A' ' 68' ' ' VAL . 25.3 t -97.01 129.51 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -105.32 169.37 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.3 mmm -136.52 143.96 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.23 -72.61 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -106.05 174.04 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.4 p -67.38 -42.29 87.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.435 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -57.84 -35.58 75.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB1' ' HA3' ' A' ' 90' ' ' GLY . . . -59.78 -51.94 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -29.4 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.3 t -51.85 -49.08 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 135' ' ' PRO . 50.9 mt -59.33 -14.08 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.3 m -99.53 30.64 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -113.79 108.91 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -39.26 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.37 133.0 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -92.84 157.52 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.5 p -169.29 128.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.431 ' HB2' HD11 ' A' ' 131' ' ' LEU . 15.8 tp -93.99 62.67 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.9 -41.44 2.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.31 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -82.32 162.87 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -105.56 126.65 52.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 126' ' ' LEU . 71.1 mt -102.3 146.93 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -108.28 82.87 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 70' ' ' VAL . 28.1 t -92.91 118.25 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -120.47 153.12 56.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.698 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.615 ' HB3' HD21 ' A' ' 119' ' ' LEU . 61.9 Cg_endo -76.26 105.94 2.17 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.691 ' HE ' HD12 ' A' ' 106' ' ' ILE . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 109' ' ' MET . 3.6 mtp-105 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 53.9 p -139.69 143.84 37.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.409 HG12 ' NH1' ' A' ' 115' ' ' ARG . 27.0 m -137.86 142.57 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -82.28 119.47 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -115.93 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.3 p -154.96 166.49 33.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.87 28.33 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.454 ' HB2' HG21 ' A' ' 77' ' ' VAL . 9.4 p90 -96.46 151.16 37.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.2 Cg_endo -75.44 130.59 12.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.339 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -39.46 136.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.48 -31.75 6.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 74' ' ' PRO . 85.5 t -49.83 132.8 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.114 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -111.27 151.73 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.3 p -45.76 -40.93 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.29 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -53.35 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.2 mt -53.5 -56.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.669 ' HA ' HG21 ' A' ' 92' ' ' VAL . 8.6 t -47.15 -59.25 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 87' ' ' LEU . 6.7 tt0 -46.57 -57.71 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.9 t80 -53.88 -28.56 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 107' ' ' VAL . 28.1 m-85 -81.5 -30.8 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 84' ' ' GLU . 98.3 mt -58.51 -24.85 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CD1' ' OE1' ' A' ' 121' ' ' GLN . 53.3 m-85 -119.58 -29.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.4 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 174.1 151.04 8.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.409 ' HA ' HD23 ' A' ' 87' ' ' LEU . 72.5 Cg_exo -46.51 153.22 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' A' ' 83' ' ' SER . 65.9 t -110.7 96.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.8 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -169.72 169.2 8.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.4 t -143.9 120.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.26 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.0 mtp -96.63 129.61 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -53.09 165.07 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' ASP . 20.1 tptm -124.6 -52.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 t0 -37.26 -47.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -123.98 -46.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.04 51.96 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 m -118.62 -26.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -123.42 159.81 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.29 142.51 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -93.81 117.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.486 HG21 ' CE2' ' A' ' 86' ' ' PHE . 55.1 t -102.27 147.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.8 157.31 40.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.442 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 15.1 mmm -117.82 145.51 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -46.68 -53.56 9.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.14 170.58 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 113' ' ' GLY . 5.5 p -60.47 -46.06 95.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.467 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -47.0 -52.52 11.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -45.2 -55.73 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.336 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 67' ' ' SER . 15.3 ttt85 -49.22 -51.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -47.64 -46.57 28.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.95 -62.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.2 t -45.35 -53.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.54 -31.96 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -91.19 29.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.419 ' OE1' ' CD1' ' A' ' 89' ' ' PHE . 6.8 tp60 -106.48 151.58 24.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.2 m -59.75 -74.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -128.67 169.23 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -129.16 150.14 50.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 7.9 t -173.78 146.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.0 tp -110.66 40.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.74 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.91 -55.18 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -116.86 177.75 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -110.64 172.89 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.48 150.21 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -113.21 51.59 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.51 143.14 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.32 145.37 7.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.37 149.76 2.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.2 t -138.33 156.75 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.91 149.35 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -91.11 118.19 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.57 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 78.2 t -112.78 127.61 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -151.08 165.28 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.78 33.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -90.7 143.74 29.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.99 158.44 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.301 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -72.84 127.56 32.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 106.98 -36.26 4.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 76' ' ' GLY . 80.7 t -35.04 125.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -104.48 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.5 p -60.78 -41.45 95.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.32 -58.72 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -55.24 -56.51 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.68 -56.53 7.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.1 t -54.53 -51.83 63.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.96 -42.92 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 125' ' ' SER . 19.7 t80 -69.95 -29.52 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 31.1 m-85 -81.62 -23.57 36.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 87' ' ' LEU . 21.0 mt -62.57 -24.34 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.81 65.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 78.6 m-85 -111.56 -37.1 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.05 166.59 38.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' HD23 ' A' ' 87' ' ' LEU . 59.4 Cg_endo -72.6 124.93 10.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 86' ' ' PHE . 76.0 t -85.64 107.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HB3' ' CB ' ' A' ' 108' ' ' GLU . . . -50.52 -45.63 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t -173.92 158.33 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.435 HG12 ' HG3' ' A' ' 97' ' ' MET . 98.2 t -122.85 99.45 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.3 t -88.48 100.34 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.435 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.1 mtp -95.35 136.85 35.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.32 156.07 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -111.29 -35.2 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -48.12 -60.41 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -125.21 -46.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.61 55.0 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.5 m -114.34 4.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -158.56 167.89 28.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.97 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.89 107.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 86' ' ' PHE . 53.1 t -91.73 117.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.5 ' CB ' ' HB3' ' A' ' 93' ' ' ALA . 71.8 mt-10 -94.58 161.83 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.0 mmm -125.49 152.99 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.07 -59.64 10.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -121.88 173.13 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 113' ' ' GLY . 8.0 p -67.41 -44.09 87.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.466 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -52.34 -36.63 46.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.1 93.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -68.31 -35.29 77.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -59.32 -36.57 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.95 -56.94 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 52.9 t -48.77 -47.45 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.09 -30.19 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -96.33 36.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -102.55 154.67 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m -61.98 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -140.04 122.1 15.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 73.4 m-70 -78.01 131.52 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.541 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 2.3 t -148.51 153.16 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.0 tp -113.17 32.68 5.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.02 -82.01 0.8 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.541 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.39 -44.08 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -109.09 172.94 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -106.16 174.37 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 55.0 mt -134.79 151.87 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -111.45 88.02 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 70' ' ' VAL . 51.9 t -99.92 132.3 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -136.23 150.49 71.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.92 131.25 13.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.7 tpt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.9 mtm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.404 ' C ' ' HG3' ' A' ' 136' ' ' ARG . 72.3 m -157.16 168.66 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -150.7 134.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 33.1 t80 -76.93 112.22 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 67.7 t -110.78 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.1 t -130.78 156.28 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.411 ' O ' HD23 ' A' ' 131' ' ' LEU . . . 98.7 29.8 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -94.99 156.94 37.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.802 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.0 Cg_endo -75.47 147.71 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.29 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.3 mtm-85 -52.09 155.7 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 74' ' ' PRO . 76.3 t -43.39 135.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -123.09 150.82 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.4 p -45.15 -36.58 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.22 31.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -53.52 -55.66 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.4 mt -52.27 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.9 p -39.91 -52.49 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' A' ' 87' ' ' LEU . 3.6 tt0 -50.75 -50.56 55.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.32 -26.41 68.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.46 ' CE2' HG21 ' A' ' 107' ' ' VAL . 30.2 m-85 -88.15 -20.01 26.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 84' ' ' GLU . 32.8 mt -64.2 -17.72 63.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.09 -12.22 61.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.645 ' CZ ' ' NE2' ' A' ' 121' ' ' GLN . 53.8 m-85 -124.48 -15.74 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.76 160.49 12.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.524 ' HA ' HD23 ' A' ' 87' ' ' LEU . 59.8 Cg_endo -73.14 127.6 12.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.422 HG11 ' CG2' ' A' ' 95' ' ' VAL . 43.5 t -89.72 102.46 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.14 -53.64 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 t -162.2 158.51 24.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.422 ' CG2' HG11 ' A' ' 92' ' ' VAL . 67.4 t -126.11 103.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.26 100.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.9 ptp -108.27 136.34 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -51.92 131.98 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -91.45 -37.86 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -47.23 -49.66 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -131.98 -48.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.11 54.83 2.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.63 -9.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 13.9 p90 -151.53 157.42 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.02 143.83 27.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 136' ' ' ARG . 8.7 mm -104.21 105.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.46 HG21 ' CE2' ' A' ' 86' ' ' PHE . 22.0 t -92.38 122.35 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.21 138.19 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmm -99.23 154.0 18.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -65.05 -64.49 3.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.81 165.55 11.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 113' ' ' GLY . 6.3 p -61.48 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -50.81 -31.85 24.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.87 -48.78 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -62.85 -29.32 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.86 -48.38 71.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.21 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.24 -58.03 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.09 -23.05 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -99.17 28.89 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.645 ' NE2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 tt0 -100.13 148.74 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -61.46 -75.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -132.16 136.34 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 79.9 m-70 -97.39 124.27 41.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.9 p -154.02 121.93 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 tp -90.08 114.61 26.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.32 -98.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.52 32.32 3.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -128.47 -177.04 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -123.43 134.23 53.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 72' ' ' GLY . 65.0 mt -119.06 165.25 14.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -127.65 84.79 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.96 115.29 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -124.09 152.82 67.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.89 152.22 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.639 ' HD2' HG23 ' A' ' 106' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.812 0.339 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.4 m -125.87 161.91 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 115' ' ' ARG . 13.7 m -141.47 135.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 104' ' ' PHE . 30.0 t80 -79.42 113.92 17.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 107' ' ' VAL . 85.8 t -108.78 131.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.457 ' HB3' ' CE1' ' A' ' 69' ' ' PHE . 24.5 p -158.24 172.89 17.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.33 22.52 56.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.45 156.14 53.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.86 148.02 27.84 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.51 136.84 56.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.36 -26.57 10.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.19 125.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 0.0 111.111 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -101.25 -176.45 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -79.75 -7.54 58.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.11 -47.81 9.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.27 -43.0 92.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.6 mt -58.87 -52.01 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.0 p -56.12 -57.93 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.0 -45.41 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.775 ' CD2' HD13 ' A' ' 126' ' ' LEU . 5.9 t80 -64.97 -24.77 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -92.25 1.63 57.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.4 -15.08 53.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.27 -1.71 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -126.71 -36.37 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.41 ' HA3' ' CB ' ' A' ' 114' ' ' ALA . . . -174.03 172.75 45.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.55 126.85 9.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -88.83 118.9 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.72 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -168.18 156.63 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.17 101.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.25 100.85 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.4 ptm -116.68 136.54 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.63 142.69 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -105.13 -53.33 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -44.16 -50.05 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -108.81 -51.03 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.75 68.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.35 -28.81 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 14.3 p90 -132.73 156.37 47.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.11 124.6 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.3 mm -81.7 107.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 70' ' ' VAL . 42.7 t -91.01 106.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -92.29 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mmm -108.46 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -87.53 -59.52 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.09 165.39 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -68.44 -20.92 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.37 -43.55 45.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.41 ' CB ' ' HA3' ' A' ' 90' ' ' GLY . . . -52.36 -49.49 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.083 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.413 ' HG3' ' CG1' ' A' ' 68' ' ' VAL . 22.6 ttt180 -58.55 -50.09 75.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -52.76 -42.69 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.11 -49.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.1 -34.98 75.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -90.03 37.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.434 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 18.8 tm0? -106.76 148.64 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.7 m -66.81 -74.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.434 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 89.0 mt-30 -131.8 138.06 48.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -103.65 145.88 29.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.1 p -164.19 148.46 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.775 HD13 ' CD2' ' A' ' 85' ' ' TYR . 15.8 tp -127.11 90.94 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.75 95.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.42 -45.93 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -57.07 177.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -119.67 159.43 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' A' ' 126' ' ' LEU . 69.4 mt -137.69 148.71 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -114.87 74.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.3 t -78.24 135.2 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -151.05 144.02 16.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.61 143.75 5.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -151.04 174.03 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 107' ' ' VAL . 5.8 m -148.0 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -91.11 116.45 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 133' ' ' VAL . 93.6 t -116.38 131.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.7 p -159.27 166.87 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.06 21.53 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.05 154.77 47.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.6 170.79 19.24 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -75.87 130.03 37.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.06 -36.06 3.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 133.23 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -114.52 150.64 34.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.3 p -48.2 -31.25 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.79 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.28 -46.75 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.74 -55.28 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.9 p -49.56 -58.45 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -48.82 -38.29 21.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.721 ' CD2' HD13 ' A' ' 126' ' ' LEU . 15.0 t80 -76.47 -28.54 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.34 -11.34 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 84' ' ' GLU . 38.3 mt -75.1 -10.06 59.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.16 -7.2 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -126.67 -28.75 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.09 167.36 35.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.67 129.57 13.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.7 t -93.34 107.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.36 -47.99 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 m -173.46 158.69 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 107' ' ' VAL . 73.5 t -125.2 109.32 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.48 82.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.448 ' HG3' HG12 ' A' ' 95' ' ' VAL . 71.7 mtp -76.21 114.78 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.01 149.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -108.66 -30.32 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -55.25 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 103' ' ' VAL . 19.1 mmtt -126.2 3.5 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' LYS . . . 37.66 27.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 1.2 p -75.55 -8.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 4.2 p90 -156.78 164.37 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.55 130.41 14.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.5 mm -82.42 107.73 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 95' ' ' VAL . 20.7 t -96.45 118.59 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.21 164.2 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.6 mmm -130.76 152.77 49.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -54.11 -79.96 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -111.15 168.79 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.58 -37.57 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.02 -39.36 68.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.66 -55.99 14.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -53.88 -38.77 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.57 -44.21 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.96 -54.91 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.32 -45.66 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 135' ' ' PRO . 94.0 mt -60.77 -30.54 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -97.78 50.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 3.5 tm0? -115.83 143.14 45.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -58.4 -72.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 6.8 tm0? -137.0 122.96 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -83.87 120.0 25.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 t -146.24 121.29 10.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 85' ' ' TYR . 17.1 tp -91.71 99.11 12.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.16 27.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.96 -39.74 2.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.23 115.16 6.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -67.08 143.73 56.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.68 133.45 38.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -95.02 90.0 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 70' ' ' VAL . 48.9 t -98.33 127.91 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -139.95 149.2 58.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' PRO . . . . . 0.408 ' HG3' HD22 ' A' ' 119' ' ' LEU . 71.2 Cg_exo -45.64 158.16 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -164.99 145.75 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.2 m -120.91 139.03 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 79.8 t80 -83.49 123.82 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.901 HG22 HG22 ' A' ' 133' ' ' VAL . 56.1 t -120.89 125.73 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.0 p -149.1 153.81 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 33.25 7.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -93.47 156.99 39.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.542 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.8 Cg_endo -76.64 144.04 24.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -50.66 156.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.87 -41.3 2.74 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 74' ' ' PRO . 95.3 t -44.74 120.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -106.29 148.32 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.0 p -39.28 -59.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.56 -53.41 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' LEU . 56.1 mt-30 -52.77 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD22 ' HE2' ' A' ' 86' ' ' PHE . 29.1 mt -37.02 -50.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 t -53.18 -61.63 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 87' ' ' LEU . 3.6 tt0 -46.43 -36.54 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -76.8 -29.4 56.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.455 ' HE2' HD22 ' A' ' 82' ' ' LEU . 41.9 m-85 -87.64 -1.77 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 84' ' ' GLU . 25.5 mt -78.34 -16.09 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.47 -18.57 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -115.1 -27.83 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.74 164.73 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -75.56 125.41 8.94 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.364 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.444 HG21 ' HB2' ' A' ' 86' ' ' PHE . 91.7 t -87.14 120.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.19 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -167.41 151.25 6.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.25 96.04 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.34 97.95 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.64 145.28 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.75 150.9 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -115.65 -42.17 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.38 -47.3 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -121.92 -54.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.72 64.81 1.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.31 -40.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.488 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 13.2 p90 -120.15 163.57 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -159.78 135.42 8.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.9 mm -87.8 112.98 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.6 t -100.04 98.13 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.48 150.35 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 53.0 mmm -114.35 167.78 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -69.04 -69.92 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -121.23 178.71 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.9 p -59.26 -42.32 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -53.25 -39.16 58.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.96 55.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.2 -38.65 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.85 -52.49 63.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.45 -46.92 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.53 -42.01 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -88.15 41.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.607 HE22 ' N ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -106.92 163.12 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.0 m -99.02 -74.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.476 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 51.7 mt-30 -130.55 109.17 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.607 ' N ' HE22 ' A' ' 121' ' ' GLN . 67.3 m-70 -71.63 154.62 41.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.4 p -169.9 120.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.8 tp -93.15 87.04 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.66 44.35 79.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.73 -39.18 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.27 163.54 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -110.31 148.52 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.98 156.75 48.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -120.66 88.99 3.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.901 HG22 HG22 ' A' ' 70' ' ' VAL . 43.6 t -101.77 136.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 157.07 32.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 108.4 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 p -110.34 156.92 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 68' ' ' VAL . 18.7 m -141.07 129.08 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 18.6 t80 -85.67 117.26 24.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 59.2 t -110.89 125.81 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 18.5 t -145.16 150.33 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.34 32.29 5.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -93.41 144.3 28.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.678 0.751 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.61 165.61 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -75.83 125.93 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 110.09 -37.96 3.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' GLY . 99.5 t -36.4 136.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -129.11 158.18 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.7 t -43.78 -42.42 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.64 -57.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -62.37 -57.47 11.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.9 mt -42.51 -52.42 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -51.93 -50.32 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.4 tt0 -56.33 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CG ' HD12 ' A' ' 126' ' ' LEU . 15.5 t80 -66.3 -22.86 66.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.452 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 30.8 m-85 -89.52 -23.57 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 91' ' ' PRO . 30.9 mt -62.04 -24.08 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 -18.78 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 121' ' ' GLN . 62.5 m-85 -116.09 -31.22 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.52 162.02 28.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.544 ' HA ' HD23 ' A' ' 87' ' ' LEU . 58.9 Cg_endo -72.07 137.11 28.42 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 108' ' ' GLU . 73.5 t -97.91 121.54 48.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB3' ' OE1' ' A' ' 108' ' ' GLU . . . -67.61 -49.64 62.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.5 m -163.59 159.36 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.7 120.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.4 t -104.76 102.43 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 32.2 mmm -87.14 129.92 34.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.454 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 36.8 t70 -45.55 116.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 10.55 18.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -93.94 -57.25 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -123.26 -67.59 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.72 2.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 98' ' ' ASP . 14.1 p90 -158.45 166.99 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.05 148.21 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.83 95.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 86' ' ' PHE . 37.8 t -76.6 136.63 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.516 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -114.17 134.43 54.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 51.9 mmm -102.82 128.92 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' MET . . . -35.84 -72.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.58 179.29 4.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.3 p -72.43 -47.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.513 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -46.75 -43.93 16.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.93 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ARG . . . . . 0.443 ' NH1' HD11 ' A' ' 119' ' ' LEU . 36.2 ttp85 -65.66 -46.95 77.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.75 -45.26 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.61 -59.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -44.11 -52.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.443 HD11 ' NH1' ' A' ' 115' ' ' ARG . 28.9 mt -62.39 -27.43 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -98.8 41.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 tt0 -108.22 152.17 24.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m -65.63 -74.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 91.7 mt-30 -132.56 127.13 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -88.61 129.65 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 84.1 p -157.32 149.33 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.553 HD12 ' CG ' ' A' ' 85' ' ' TYR . 13.7 tp -105.69 -55.68 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.81 71.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.96 -38.65 3.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.499 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -108.75 172.82 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -108.95 148.42 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.06 115.51 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.86 80.01 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -80.72 129.22 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -141.38 153.82 66.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.33 108.11 2.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 m -106.61 155.57 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 107' ' ' VAL . 34.6 m -141.07 147.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -94.02 118.08 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 66.8 t -113.26 141.9 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.8 p -165.28 138.25 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.78 24.69 1.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -89.66 155.41 48.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.24 -179.67 5.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -83.36 148.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.44 27.38 48.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.7 t -97.67 134.4 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.8 m-20 -110.25 134.98 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 78' ' ' ASP . 77.3 p -35.66 -33.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . . . -60.1 -56.35 22.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -50.11 -51.63 41.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.54 -61.77 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.9 p -45.67 -57.57 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.2 tt0 -46.75 -41.67 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' A' ' 126' ' ' LEU . 28.2 t80 -71.99 -25.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 107' ' ' VAL . 33.4 m-85 -91.69 -2.82 56.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 84' ' ' GLU . 47.2 mt -84.47 -11.91 55.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.28 -6.53 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -124.9 -34.65 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.37 165.51 37.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.46 123.74 9.76 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 108' ' ' GLU . 63.1 t -89.06 109.05 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.63 -48.28 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -170.03 167.23 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.37 130.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.6 t -116.11 90.35 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.5 ptm -99.98 128.61 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -49.44 156.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -120.81 -42.27 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.89 -55.34 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -113.05 -54.16 2.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.76 68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 1.94 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -156.12 153.52 29.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.32 127.7 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.8 mm -88.3 103.77 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.611 ' O ' HG22 ' A' ' 68' ' ' VAL . 24.9 t -92.4 122.1 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 92' ' ' VAL . 50.8 tt0 -105.44 163.56 12.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -124.12 -176.7 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -88.26 -47.79 4.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.49 174.77 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.449 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 9.2 p -58.5 -35.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.03 89.29 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.71 -52.77 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -63.59 -26.38 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.61 -37.21 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.97 -50.04 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.34 -52.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.05 -35.5 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.8 t -91.64 42.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.49 138.73 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.7 m -47.41 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -140.04 125.23 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.424 ' CD2' ' HB ' ' A' ' 133' ' ' VAL . 62.1 m-70 -79.67 120.8 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.2 t -147.65 128.33 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 85' ' ' TYR . 22.4 tp -94.81 79.77 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 45.13 61.37 3.55 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.48 -53.68 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -72.31 167.42 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -125.91 127.69 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 39.9 mt -109.12 150.79 27.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -108.42 78.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 124' ' ' HIS . 32.5 t -80.31 120.72 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -126.98 155.98 74.91 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.697 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.67 114.29 3.82 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.4 p -115.42 153.55 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 107' ' ' VAL . 29.1 m -141.84 135.95 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -82.06 111.92 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.8 142.61 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.7 t -165.62 175.74 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.78 33.23 27.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -98.27 154.63 37.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.536 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.4 Cg_endo -75.56 130.86 13.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.276 . . . . 0.0 112.389 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -42.52 145.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.57 -31.61 8.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 74' ' ' PRO . 88.4 t -56.81 143.68 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -126.0 168.07 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.0 p -58.15 -41.48 83.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -66.35 -54.64 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.79 -56.43 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.6 p -48.44 -56.01 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.6 tt0 -54.72 -27.98 44.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -83.15 -26.07 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.11 -14.05 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 84' ' ' GLU . 30.3 mt -66.57 -32.37 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.19 -15.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -119.42 -38.19 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.13 160.49 32.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.54 ' HA ' HD23 ' A' ' 87' ' ' LEU . 58.9 Cg_endo -72.31 123.28 9.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.564 HG11 ' CG2' ' A' ' 95' ' ' VAL . 83.7 t -81.52 105.23 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB3' ' CB ' ' A' ' 108' ' ' GLU . . . -47.72 -45.35 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -170.72 156.88 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.564 ' CG2' HG11 ' A' ' 92' ' ' VAL . 84.1 t -129.66 97.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.11 105.69 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' A' ' 105' ' ' ALA . 23.9 mmm -88.32 132.62 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.556 ' OD2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 t70 -51.56 136.26 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -100.36 -44.09 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.65 -51.25 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -123.92 -52.33 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 41.93 4.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.52 -38.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CZ ' ' OD2' ' A' ' 98' ' ' ASP . 7.5 p90 -119.41 176.0 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.428 ' HB2' ' SD ' ' A' ' 97' ' ' MET . . . -160.26 144.93 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.03 114.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 68' ' ' VAL . 55.5 t -103.3 124.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 93' ' ' ALA . 72.0 mt-10 -104.03 172.03 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.421 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 25.4 mmm -133.43 161.58 34.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.95 -64.11 2.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.43 160.67 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.88 -30.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.72 96.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -58.15 -53.27 60.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -53.76 -46.92 71.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -57.43 -49.44 76.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.81 -63.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 73.6 t -44.96 -46.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.57 -41.22 98.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.2 t -87.27 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.588 ' NE2' ' H ' ' A' ' 122' ' ' SER . 0.0 OUTLIER -104.25 125.47 50.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.588 ' H ' ' NE2' ' A' ' 121' ' ' GLN . 1.8 m -42.76 -70.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.51 136.18 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 77.6 m-70 -100.13 132.34 45.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 98.4 p -160.32 136.35 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.13 39.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.8 66.57 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 140.72 -60.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -106.18 165.58 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -95.58 158.87 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.8 mt -129.85 165.03 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -129.6 73.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.6 127.92 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -141.74 153.07 64.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.56 135.95 20.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.6 p -64.63 174.37 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 t -48.41 126.83 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.44 93.56 1.53 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.2 m -156.04 114.61 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -79.69 136.91 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.13 -45.86 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.5 mt -116.83 105.09 11.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -94.01 41.35 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -142.34 166.59 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG23 ' HB ' ' A' ' 107' ' ' VAL . 34.1 m -144.73 149.88 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 19.8 t80 -99.31 115.67 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -113.44 130.48 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -157.21 173.49 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.32 59.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -79.45 156.82 75.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.08 -178.24 4.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -81.56 130.03 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.88 -30.49 5.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.425 ' CG1' ' HG ' ' A' ' 82' ' ' LEU . 67.6 t -57.03 136.32 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 p -66.85 -47.63 71.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.11 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.0 -61.79 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HG ' ' CG1' ' A' ' 77' ' ' VAL . 34.4 mt -42.04 -56.26 2.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 95' ' ' VAL . 4.0 m -48.62 -53.02 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -52.74 -41.97 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.86 -24.95 65.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.62 7.85 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.26 -8.7 50.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.18 -7.02 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.33 -35.76 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.59 179.66 46.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.75 118.61 4.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 108' ' ' GLU . 97.1 t -92.89 131.0 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.09 -54.11 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 m -174.93 169.9 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.486 HG23 ' OG ' ' A' ' 83' ' ' SER . 78.0 t -124.77 99.59 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.8 t -83.14 90.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.0 ptm -100.02 135.12 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.64 133.87 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -98.36 -38.9 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -51.45 -48.18 62.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -119.91 -55.44 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.76 72.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.494 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 104' ' ' PHE . 26.8 m -126.85 -46.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 27.6 p90 -114.48 157.78 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.93 122.41 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.5 mm -80.87 103.15 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.512 ' HB ' HG23 ' A' ' 68' ' ' VAL . 58.3 t -84.55 112.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.699 ' O ' HG13 ' A' ' 92' ' ' VAL . 18.2 mt-10 -93.01 155.55 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.694 ' SD ' HG22 ' A' ' 92' ' ' VAL . 31.0 mmm -128.95 153.85 47.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.65 -73.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.54 159.53 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.2 p -53.54 -43.87 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.443 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -51.07 -47.2 49.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.427 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.91 -55.09 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -58.17 -31.22 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.28 -34.53 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.97 -27.01 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.53 -41.96 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 135' ' ' PRO . 30.8 mt -61.75 -33.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 t -88.74 39.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.554 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 20.6 tm0? -110.88 144.43 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m -64.49 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 15.1 mp0 -135.02 143.96 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.554 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 47.2 m80 -110.44 149.67 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 p -163.97 146.61 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' A' ' 131' ' ' LEU . 16.1 tp -118.33 73.88 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.46 43.73 18.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.76 -52.62 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 11.5 m80 -60.85 158.01 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -100.54 141.48 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 126' ' ' LEU . 68.6 mt -118.71 134.55 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -85.05 61.73 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.6 125.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.68 153.94 72.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.8 ' HB3' HD21 ' A' ' 119' ' ' LEU . 61.3 Cg_endo -76.56 47.59 2.15 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 135' ' ' PRO . 11.9 ttp180 37.03 50.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -103.72 85.32 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 139' ' ' LYS . 15.1 tt0 -123.0 171.51 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 138' ' ' GLN . 1.7 mmmp? 38.1 50.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -80.93 117.86 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -77.21 126.95 31.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -113.11 143.37 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.7 p -170.29 153.36 4.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.733 0.777 . . . . 0.0 110.816 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.04 87.5 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -83.28 92.22 7.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 65.3 p -113.91 133.1 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -175.03 145.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.3 t -135.51 144.19 48.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.665 0.745 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.34 152.13 30.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 150' ' ' LYS . 0.0 OUTLIER -99.96 140.4 34.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -153.77 176.17 12.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.0 p -97.31 114.4 26.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.614 ' HA2' HD11 ' A' ' 65' ' ' LEU . . . -173.72 -49.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.1 m -43.53 -64.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.1 p -82.06 144.22 30.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.11 121.5 1.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.614 HD11 ' HA2' ' A' ' 61' ' ' GLY . 6.5 mp -69.96 -26.71 64.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -130.2 87.22 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 p -171.88 146.58 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 m -148.49 134.83 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 31.1 t80 -83.08 100.16 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.97 116.83 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.2 p -143.59 170.66 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.09 24.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -98.43 147.68 33.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.68 176.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -91.27 117.14 29.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.03 -33.02 4.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.19 120.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.498 ' OD2' ' HB3' ' A' ' 80' ' ' ALA . 20.6 p-10 -102.9 154.0 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -43.07 -39.71 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HB3' ' OD2' ' A' ' 78' ' ' ASP . . . -51.29 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -49.87 -63.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.3 mt -40.47 -49.73 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -51.24 -59.14 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.75 -28.86 51.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -80.52 -24.71 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -93.57 -12.6 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.84 -19.11 62.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.81 -10.61 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -124.62 -28.31 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.65 162.36 28.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.25 126.98 9.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.56 108.43 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.12 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -161.32 162.63 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.77 127.59 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.1 t -118.69 96.89 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.8 ptp -99.62 140.08 34.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.92 155.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 -4.64 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -93.77 -58.04 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -105.89 -40.16 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.93 54.66 6.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.5 12.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 15.7 p90 -165.61 157.36 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.12 140.03 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.5 mm -95.48 105.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 77.8 t -94.48 136.22 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.93 159.02 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.5 mmm -125.65 144.51 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -53.25 -74.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -100.42 160.7 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.2 p -55.02 -44.47 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.475 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -54.42 -50.85 55.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -42.51 -45.74 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -62.54 -36.28 82.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.62 -50.63 72.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.86 -58.2 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.418 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 35.7 t -49.58 -46.38 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 119' ' ' LEU . 23.2 mt -65.05 -33.48 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -98.87 43.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 144.51 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.8 m -50.88 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -140.02 121.57 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.418 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 79.1 m-70 -80.48 119.8 23.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -147.84 136.33 21.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.5 ' HB2' HD11 ' A' ' 131' ' ' LEU . 12.3 tp -98.04 49.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.49 82.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.76 -61.36 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -98.66 176.36 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -109.47 168.77 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 126' ' ' LEU . 88.0 mt -137.79 135.62 36.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -99.58 97.03 8.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.7 t -107.12 117.69 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -131.74 144.49 53.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.59 135.78 12.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -85.61 99.36 11.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.58 33.63 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -95.16 122.92 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.51 136.43 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -128.64 102.92 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 141' ' ' PHE . 35.8 p90 -54.99 105.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -109.88 142.66 40.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.6 t -117.48 92.8 41.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.685 0.755 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.94 118.3 4.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -82.85 94.46 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 49.3 p -143.77 148.11 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 100.76 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.1 t -79.91 144.32 59.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.682 0.753 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.1 130.4 11.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -114.52 121.68 44.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.5 m -103.68 84.31 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.0 m -101.2 148.18 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.58 53.25 3.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.506 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.4 p 37.9 39.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -78.51 122.87 26.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.81 94.11 1.67 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.784 ' H ' HD23 ' A' ' 65' ' ' LEU . 1.5 pt? -103.27 -34.51 8.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 17.4 mtm105 -58.74 -21.51 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -81.16 155.23 26.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 m -135.49 155.81 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -97.76 117.04 31.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 133' ' ' VAL . 77.3 t -116.3 137.06 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -160.86 160.61 31.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.08 31.15 9.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -95.23 146.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.436 ' HB2' HG23 ' A' ' 77' ' ' VAL . 71.0 Cg_exo -45.56 143.72 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.28 124.09 20.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 111.42 -37.72 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 74' ' ' PRO . 98.7 t -36.86 137.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -109.47 172.28 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -62.28 -46.44 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.3 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.49 -61.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -46.6 -55.5 7.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 p -45.8 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 87' ' ' LEU . 6.2 tt0 -46.55 -58.96 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.14 -21.45 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -91.68 -11.39 37.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 84' ' ' GLU . 43.4 mt -78.34 -5.49 52.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.5 -9.84 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -122.3 -30.89 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.83 167.83 38.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' GLY . 61.7 Cg_endo -76.65 125.44 8.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 108' ' ' GLU . 55.6 t -88.84 119.88 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -167.39 169.44 12.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.3 115.95 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.74 121.15 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 52.3 mtp -115.13 132.53 56.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -55.03 125.33 20.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -89.9 -34.82 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -57.12 -54.83 42.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -112.85 -57.7 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.68 44.85 3.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.56 -36.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -111.9 161.95 15.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -155.1 134.91 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.489 HD12 ' CD ' ' A' ' 136' ' ' ARG . 31.1 mm -93.03 113.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.41 119.75 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.867 ' O ' HG13 ' A' ' 92' ' ' VAL . 31.0 tt0 -103.02 146.83 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -112.29 172.21 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' PRO . . . -74.35 -75.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -104.92 169.2 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.05 -25.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.48 -34.08 78.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.19 -46.23 88.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -61.86 -50.74 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -48.61 -51.78 26.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.57 -59.35 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.35 -49.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.35 -23.55 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -97.33 36.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 20.4 tm0? -109.34 148.85 30.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.3 m -69.36 -73.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.401 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 41.9 mt-30 -134.03 130.66 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -95.18 149.61 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -167.79 149.64 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.6 tp -119.43 58.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.62 92.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.77 -53.25 4.82 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -84.06 159.63 21.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 131' ' ' LEU . 23.2 ttm180 -116.92 147.65 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.419 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 73.4 mt -114.03 144.81 42.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -109.82 86.06 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 70' ' ' VAL . 60.0 t -94.9 135.08 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -148.72 152.38 37.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.65 126.47 8.86 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.489 ' CD ' HD12 ' A' ' 106' ' ' ILE . 3.4 tpm_? -51.4 -44.11 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -167.68 113.13 0.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -157.62 118.64 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 140' ' ' GLU . 8.0 mtpm? -112.06 102.57 10.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 139' ' ' LYS . 12.9 pt-20 34.48 40.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -120.44 124.81 46.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -136.62 122.88 20.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.9 p -110.54 92.89 14.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.687 0.756 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.55 134.85 12.87 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -85.39 153.79 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.6 t -159.63 165.94 31.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -99.67 156.99 16.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 28.3 p -158.68 144.36 12.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.706 0.765 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.19 -51.47 0.09 OUTLIER 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 151' ' ' GLY . 76.2 tttt -173.16 159.18 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.41 ' N ' ' HG2' ' A' ' 150' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -67.01 165.62 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 m -83.14 111.16 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.03 155.35 53.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.6 p -54.45 -59.99 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.0 p -127.53 137.85 52.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.53 140.69 3.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 65' ' ' LEU . 3.1 mp -95.45 105.23 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 115' ' ' ARG . 29.7 mtt180 43.18 49.01 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -127.39 169.54 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 m -150.25 137.97 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 88.7 t80 -85.87 106.82 17.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.5 t -99.46 124.68 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.1 m -151.36 156.04 39.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.07 32.36 6.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -98.91 156.54 35.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.725 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.01 162.99 31.44 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.18 146.35 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.97 -35.05 5.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.88 142.69 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.075 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -127.12 171.85 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 p -56.54 -38.88 72.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.87 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.3 -56.76 17.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -48.86 -50.49 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -50.28 -61.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.5 tt0 -52.4 -26.45 12.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -81.13 -26.79 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -96.4 -10.9 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 84' ' ' GLU . 22.3 mt -67.61 -19.67 65.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.55 -19.89 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.504 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 23.3 m-85 -113.08 -22.62 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.05 160.4 22.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.4 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -76.0 127.3 9.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 0.0 112.362 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -86.9 121.87 38.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.99 -48.14 46.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 m -156.22 168.17 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -145.37 117.32 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.22 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.3 ptp -100.71 151.11 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -66.94 140.37 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -109.92 -15.36 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.51 -45.85 43.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -130.11 -48.93 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.39 60.2 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.413 HG23 ' HD2' ' A' ' 104' ' ' PHE . 23.8 m -121.21 8.41 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.527 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 39.0 p90 -169.11 158.13 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.3 136.47 11.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 mm -91.51 109.89 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.68 125.15 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -109.87 160.39 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.484 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 12.8 mmm -116.85 172.24 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.43 -39.39 12.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -133.56 169.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 113' ' ' GLY . 14.4 p -61.66 -41.69 91.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -51.92 -46.7 55.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -57.62 -57.34 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 66' ' ' ARG . 2.1 tmm_? -49.68 -27.23 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -79.58 -44.94 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.58 -60.82 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 49.4 t -49.87 -46.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.02 -32.75 74.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -98.11 47.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 1.3 tm0? -106.14 133.26 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.5 p -45.68 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 68.0 mt-30 -137.43 124.95 22.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -85.51 129.94 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -154.35 140.81 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.511 ' HB2' HD11 ' A' ' 131' ' ' LEU . 29.2 tp -115.3 85.71 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.44 49.9 62.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.29 -52.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -64.36 140.06 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -90.23 145.05 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 126' ' ' LEU . 56.6 mt -116.48 158.95 22.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -116.39 96.27 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.5 t -108.95 144.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -155.46 150.89 21.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.66 136.94 12.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -48.92 -44.3 40.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -142.13 123.18 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 139' ' ' LYS . 49.1 mt-30 -70.93 86.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 138' ' ' GLN . 23.9 ttpt -36.09 146.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -115.58 -42.59 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -91.0 110.89 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -146.23 151.6 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 13.0 t -133.27 144.16 51.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 145' ' ' ALA . 61.8 Cg_endo -77.32 40.5 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 144' ' ' PRO . . . -34.21 -49.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.4 t -117.41 168.15 10.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -121.07 -57.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.1 m -126.49 144.15 48.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.57 -52.18 7.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -132.1 169.99 15.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.449 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 t -91.79 97.25 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -137.67 177.85 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 158.37 -179.82 33.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.3 m -141.19 165.85 26.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.5 m -68.78 115.91 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' LEU . . . -157.46 -112.35 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' N ' HD23 ' A' ' 65' ' ' LEU . 2.2 pt? -35.72 145.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -129.37 38.34 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.1 m -130.2 130.02 44.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 149.16 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -91.57 117.4 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 59.7 t -113.24 143.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 p -169.03 156.9 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.59 18.92 10.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -90.22 144.03 30.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.54 172.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -84.91 119.81 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 114.59 -35.68 4.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' GLY . 94.4 t -36.16 130.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -108.17 160.49 15.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ALA . 38.2 m -51.57 -53.54 37.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' SER . . . -34.06 -55.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.59 -46.54 89.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.73 -60.83 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.0 p -41.75 -52.32 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.3 tt0 -54.95 -49.96 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.559 ' CG ' HD13 ' A' ' 126' ' ' LEU . 35.9 t80 -60.21 -36.87 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 28.3 m-85 -74.49 -32.3 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 91' ' ' PRO . 32.8 mt -55.13 -37.13 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.09 -25.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.44 -40.7 5.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.41 155.03 19.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.464 ' HA ' HD23 ' A' ' 87' ' ' LEU . 71.3 Cg_exo -45.76 155.1 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -122.31 88.69 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -38.09 -49.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -171.99 163.56 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.418 HG12 ' HG2' ' A' ' 97' ' ' MET . 91.8 t -129.68 102.54 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.37 93.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.418 ' HG2' HG12 ' A' ' 95' ' ' VAL . 39.2 mmm -82.74 141.34 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 23.0 t0 -63.1 149.37 45.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -114.54 -44.51 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.23 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -91.06 -57.34 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.09 41.85 6.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.55 -16.17 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.435 ' CE1' ' CG ' ' A' ' 98' ' ' ASP . 15.6 p90 -132.07 176.27 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.411 ' HB2' ' SD ' ' A' ' 97' ' ' MET . . . -168.68 134.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -87.0 112.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 86' ' ' PHE . 92.4 t -102.45 119.37 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.51 151.64 19.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.7 mmm -116.5 149.5 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -43.7 -77.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.62 179.56 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 113' ' ' GLY . 8.2 p -61.67 -40.18 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -52.45 -45.68 58.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -56.61 19.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.524 ' HE ' HD11 ' A' ' 119' ' ' LEU . 22.5 ttt180 -52.92 -39.06 62.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.64 -50.07 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.16 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.2 t -44.47 -47.27 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.524 HD11 ' HE ' ' A' ' 115' ' ' ARG . 46.2 mt -62.96 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 m -96.33 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.645 HE22 ' H ' ' A' ' 123' ' ' GLN . 0.0 OUTLIER -111.29 135.66 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.519 ' N ' ' CD ' ' A' ' 121' ' ' GLN . 27.3 p -45.16 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.645 ' H ' HE22 ' A' ' 121' ' ' GLN . 12.7 mm100 -136.7 149.48 47.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 77.8 m-70 -109.79 125.68 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 88.3 p -153.12 126.68 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.559 HD13 ' CG ' ' A' ' 85' ' ' TYR . 62.9 tp -87.62 84.54 7.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.92 39.31 78.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 119.24 -53.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -53.42 167.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -115.79 127.27 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 82.6 mt -114.83 134.99 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -99.7 84.04 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.04 131.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -146.86 143.94 19.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.57 149.41 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -91.66 105.6 17.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -92.61 173.22 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -132.22 -178.99 5.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 139.69 52.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 141' ' ' PHE . 6.1 pt-20 -121.14 43.23 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 140' ' ' GLU . 14.0 m-85 -37.34 -49.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -174.16 171.04 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.8 m -168.69 144.18 2.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.44 140.4 8.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -77.73 168.65 19.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 48.4 p -67.09 128.89 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 45.66 49.64 11.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -42.73 155.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.04 155.78 33.83 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.09 153.47 34.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.8 p -56.2 147.31 20.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -57.62 135.15 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.33 -65.03 2.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -119.77 93.09 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.6 m -72.91 111.39 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.52 59.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.795 ' H ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -104.57 118.12 35.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 26.0 mtm105 -96.44 31.63 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -126.02 136.1 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 107' ' ' VAL . 15.7 m -125.18 139.43 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 51.5 t80 -82.33 109.2 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.66 137.49 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.0 p -162.31 178.61 8.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.15 35.43 49.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -99.67 151.26 37.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 172.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' CB ' HH11 ' A' ' 75' ' ' ARG . 5.4 ttp-105 -91.37 113.76 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.64 -21.12 7.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.6 t -49.01 136.0 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.345 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -113.17 147.72 36.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.0 m -43.01 -36.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.46 96.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.68 -51.51 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.89 -54.25 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.409 ' HA ' HG21 ' A' ' 92' ' ' VAL . 58.7 p -46.84 -53.92 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.608 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -49.68 -46.71 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -70.36 -25.06 63.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -90.16 -8.49 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 84' ' ' GLU . 32.4 mt -76.98 -12.33 59.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.62 -14.16 60.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 44.1 m-85 -122.56 -21.19 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.542 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 172.21 161.81 23.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.544 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.4 Cg_endo -76.22 121.16 5.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 83' ' ' SER . 98.8 t -77.07 109.41 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.28 -49.67 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -165.84 163.63 18.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.86 129.95 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.94 102.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.47 148.37 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.61 127.51 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -90.03 -1.02 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.11 -58.7 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -121.36 -28.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.59 53.25 8.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 m -101.75 -38.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 30.7 p90 -123.37 156.58 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.85 143.82 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -97.82 104.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 68' ' ' VAL . 97.6 t -95.92 115.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -88.76 172.68 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mmm -136.14 153.15 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.01 -73.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.18 162.18 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.49 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.22 -48.15 76.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.542 ' HB1' ' HA3' ' A' ' 90' ' ' GLY . . . -53.63 -48.46 69.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 65' ' ' LEU . 67.8 ttp85 -59.62 -43.18 93.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.75 -38.05 86.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.94 52.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -53.45 -53.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.58 -34.07 72.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 m -88.21 28.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.558 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp60 -101.64 145.94 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.8 m -61.61 -73.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -134.9 147.81 49.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 95.4 m-70 -113.04 140.19 48.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.0 p -156.11 137.52 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 18.3 tp -102.21 72.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 88.86 -53.79 4.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -150.78 -41.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -75.12 169.53 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -108.88 133.86 52.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.6 mt -100.31 154.5 18.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -110.81 99.83 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -150.3 152.55 33.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.642 0.734 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.64 139.54 10.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.99 128.58 41.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -79.33 101.79 8.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -71.92 78.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -88.2 134.57 33.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -155.76 173.05 17.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.477 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 7.1 p90 -134.05 109.69 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -131.23 178.61 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.2 t -133.03 86.7 41.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.685 0.755 . . . . 0.0 110.907 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.69 136.17 12.81 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -167.11 137.25 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 62.0 m -119.79 171.29 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -137.36 112.48 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.0 t -113.43 143.83 30.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.78 171.42 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -57.43 -54.84 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -70.53 114.26 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.9 p -117.87 100.51 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.67 81.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.0 m -65.34 -58.85 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -74.67 143.22 44.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.24 -153.97 6.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -104.59 71.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -103.4 48.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.2 m -128.26 178.0 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 m -153.09 142.4 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 51.5 t80 -80.39 125.26 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.27 123.87 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -151.89 -177.87 6.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.17 33.94 61.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -98.44 156.67 35.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.599 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.7 Cg_endo -76.71 138.91 19.52 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 157.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.48 -30.68 6.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 74' ' ' PRO . 59.3 t -63.64 130.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -117.22 160.05 21.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 m -43.47 -51.02 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.81 -64.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -46.29 -47.69 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.87 -61.43 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.3 p -43.27 -57.08 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.2 tt0 -51.36 -41.14 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -71.09 -26.3 62.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' A' ' 107' ' ' VAL . 10.5 m-85 -91.3 -15.86 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 84' ' ' GLU . 28.3 mt -65.24 -21.61 66.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.47 -15.69 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -117.49 -32.54 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.73 162.14 30.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.485 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -75.12 134.3 17.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 108' ' ' GLU . 69.3 t -97.27 121.1 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.517 ' HB3' ' HG2' ' A' ' 108' ' ' GLU . . . -67.22 -46.71 73.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.5 m -165.95 154.72 11.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.4 t -124.19 118.62 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.35 107.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.459 ' HG2' ' CB ' ' A' ' 105' ' ' ALA . 33.8 mtp -105.73 124.16 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.55 129.26 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -100.91 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.24 -46.48 82.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -118.87 -57.66 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.63 60.64 1.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 104' ' ' PHE . 19.2 m -124.27 -42.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 0.0 111.094 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.426 ' N ' HG23 ' A' ' 103' ' ' VAL . 11.3 p90 -116.04 164.45 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 97' ' ' MET . . . -154.85 130.31 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.86 113.12 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 86' ' ' PHE . 35.1 t -97.34 115.27 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 92' ' ' VAL . 27.0 tt0 -93.64 150.97 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 50.8 mmm -115.66 161.34 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.81 -80.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -111.39 174.9 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.93 -40.77 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.58 83.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -53.59 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -50.09 -46.5 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -53.5 -52.75 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.33 -51.93 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.4 t -65.23 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.99 -16.2 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 t -98.95 30.05 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.466 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 10.4 tp60 -113.2 107.2 15.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.5 p -40.8 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.62 142.69 49.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 84.6 m-70 -106.67 144.23 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.4 p -156.29 137.95 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 127' ' ' GLY . 40.4 tp -112.53 103.5 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 126' ' ' LEU . . . 36.0 57.21 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.471 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.89 -49.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.449 ' CG ' ' HG3' ' A' ' 74' ' ' PRO . 28.6 m-70 -60.4 176.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -135.5 121.65 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 17.4 mt -103.31 157.82 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -116.14 81.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.85 137.87 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.89 147.89 8.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.6 121.89 4.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -62.18 -23.28 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -159.3 128.03 5.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.479 ' CD ' ' N ' ' A' ' 138' ' ' GLN . 1.7 pm0 -121.84 138.3 54.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -98.97 100.14 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.87 79.65 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -170.44 156.75 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -145.39 157.26 44.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.5 t -128.0 80.71 71.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.803 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.6 94.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -137.17 177.32 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 32.5 p -129.04 91.26 3.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -90.32 135.41 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 78.9 p -163.0 144.62 7.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.75 126.94 9.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 173.55 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.9 p -114.21 175.69 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -126.56 162.46 25.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.08 -120.84 4.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t 53.08 41.87 32.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -67.12 178.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.06 135.37 15.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 mt -127.71 64.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 47.96 42.27 16.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -128.31 165.42 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 m -144.83 153.51 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -95.94 114.73 26.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -112.45 144.17 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.3 p -173.17 178.25 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.88 25.46 55.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -88.04 157.61 50.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.98 129.51 10.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -43.68 121.68 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.18 -10.79 6.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -73.38 134.29 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -116.57 141.9 47.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -36.96 -34.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.53 77.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' ASP . 60.9 mt-30 -61.45 -48.78 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.26 -59.17 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -44.98 -52.13 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.72 -46.49 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.1 t80 -61.12 -23.17 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 107' ' ' VAL . 29.1 m-85 -93.0 -23.69 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 87' ' ' LEU . 19.9 mt -62.65 -15.39 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.12 -24.09 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.46 -26.14 9.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.48 166.06 33.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.12 134.83 19.99 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.637 2.225 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.4 t -96.23 112.42 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.3 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -167.85 162.38 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.83 120.64 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.69 110.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 35.3 mtp -101.39 132.96 46.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CG ' ' CE2' ' A' ' 104' ' ' PHE . 9.6 t70 -57.46 171.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -128.13 -40.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.34 -51.35 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -125.5 -37.58 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.94 47.3 11.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.69 11.83 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 98' ' ' ASP . 25.8 p90 -159.24 155.81 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -154.94 144.04 21.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -93.51 108.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 86' ' ' PHE . 51.6 t -93.57 131.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.88 173.34 6.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 10.5 mtp -141.84 152.13 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.48 -72.79 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.67 169.51 10.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 113' ' ' GLY . 10.1 p -71.35 -42.34 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -53.26 -41.88 62.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.546 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -39.85 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -63.29 -38.55 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.82 -55.51 29.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -39.11 -60.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.412 HG13 ' CE1' ' A' ' 124' ' ' HIS . 54.2 t -45.6 -48.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.7 t -87.19 35.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -104.82 122.12 45.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.466 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 69.2 m -35.62 -74.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -138.59 136.54 36.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.412 ' CE1' HG13 ' A' ' 118' ' ' VAL . 61.1 m-70 -91.99 134.65 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.403 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 1.4 t -157.99 137.72 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.9 tp -99.6 77.97 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 47.51 54.51 10.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.16 -64.73 0.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -68.11 161.76 26.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -109.33 159.96 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.4 mt -132.65 172.62 12.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.03 90.95 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 17.0 t -100.22 129.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.407 ' C ' ' HD3' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -135.5 147.37 61.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 136' ' ' ARG . 70.9 Cg_exo -45.66 115.01 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 135' ' ' PRO . 30.8 tpt85 -36.59 -61.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -48.61 136.59 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.437 ' HG2' ' N ' ' A' ' 139' ' ' LYS . 2.4 pm0 -76.53 -29.78 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.437 ' N ' ' HG2' ' A' ' 138' ' ' GLN . 18.4 pttt -174.27 173.82 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.61 134.75 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.58 163.92 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -51.73 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 60.0 p -148.56 144.21 18.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.644 0.735 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.71 125.36 7.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.621 2.214 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.92 -51.08 59.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 97.3 p -170.51 138.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 102.27 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 69.3 m -134.48 144.22 50.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.669 0.747 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.47 -12.1 17.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -134.0 114.63 13.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 t -41.27 142.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -64.48 126.47 27.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.94 155.2 16.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.8 m -72.89 167.27 21.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.5 t -101.06 -48.11 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.66 76.4 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.8 mt -63.3 124.09 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -61.64 97.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 p -164.63 143.34 6.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 68' ' ' VAL . 9.8 m -131.96 128.14 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.48 108.09 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.29 131.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 p -155.2 164.42 38.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.95 19.32 51.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' HB2' HG21 ' A' ' 77' ' ' VAL . 8.8 p90 -80.82 152.11 71.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.484 ' HD2' HG21 ' A' ' 77' ' ' VAL . 71.3 Cg_exo -45.56 166.11 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -89.04 93.48 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.62 6.38 3.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.484 HG21 ' HD2' ' A' ' 74' ' ' PRO . 71.9 t -61.69 155.01 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.448 ' N ' HG12 ' A' ' 77' ' ' VAL . 35.8 t0 -116.32 163.3 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -64.55 -42.18 95.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.07 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -53.97 -57.93 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.2 mt -48.41 -64.06 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.518 ' HA ' HG21 ' A' ' 92' ' ' VAL . 2.2 m -42.79 -52.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 87' ' ' LEU . 7.8 tt0 -48.1 -58.26 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -55.67 -20.66 14.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.5 -15.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 91' ' ' PRO . 35.8 mt -70.16 -11.69 61.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.74 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -122.2 -19.6 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.4 160.67 21.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.559 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.6 Cg_endo -74.38 121.79 7.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.518 HG21 ' HA ' ' A' ' 83' ' ' SER . 73.2 t -80.57 116.63 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.6 m -167.1 161.83 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.3 t -124.04 115.06 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.86 114.57 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 56.2 mtp -107.99 141.17 40.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.76 138.17 58.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -98.46 -27.36 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.18 -58.99 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -118.03 -53.88 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.51 45.13 2.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.22 -2.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -149.49 160.0 43.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -151.91 132.41 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 mm -89.79 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 72.8 t -89.39 141.98 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -119.27 158.6 25.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 mmm -117.54 169.04 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.35 -56.14 3.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -119.36 162.57 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.352 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.4 p -57.52 -41.05 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.407 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -56.08 -35.23 63.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.499 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.725 ' HE ' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -53.07 -37.13 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -60.07 -50.85 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.85 -55.97 7.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.99 -53.65 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.725 HD11 ' HE ' ' A' ' 115' ' ' ARG . 21.2 mt -54.08 -43.98 70.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -89.75 45.34 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -113.37 154.48 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.1 p -66.15 -73.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -137.69 165.32 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -133.33 137.38 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 p -150.14 142.0 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.8 tp -110.14 82.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.7 58.61 9.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 99.34 -53.53 1.02 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -61.6 179.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -123.17 152.1 41.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.2 mt -130.46 137.68 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -108.43 82.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.39 124.11 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -141.09 145.07 37.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 127.15 9.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.226 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -47.19 -53.33 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 91.5 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -92.29 -43.5 9.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 140' ' ' GLU . 1.1 tmtp? -43.64 128.82 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.468 ' N ' ' HD3' ' A' ' 139' ' ' LYS . 10.5 pt-20 -174.98 115.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -45.73 -42.44 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -143.15 149.36 37.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.2 t -118.78 144.21 35.14 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.673 0.749 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.54 93.23 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -78.93 95.23 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.7 p -159.77 176.08 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -156.8 154.23 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 42.0 t -155.68 143.65 14.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.85 104.17 1.82 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.5 tptm 48.5 43.86 20.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -126.88 103.45 7.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.2 m -52.37 122.77 9.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' SER . . . 176.28 50.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.521 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' GLY . 1.6 t -34.64 -55.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t -51.02 -53.65 31.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.77 108.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.472 HD12 ' H ' ' A' ' 65' ' ' LEU . 5.6 mp -67.69 169.78 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -84.66 32.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 t -124.24 156.24 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.49 148.26 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -90.26 121.53 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 133' ' ' VAL . 98.3 t -120.97 146.09 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.5 p -168.06 -179.61 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.89 29.65 58.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -92.93 147.47 34.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.705 0.764 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.92 177.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -91.66 113.07 25.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.12 -24.05 7.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -42.63 125.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 79' ' ' SER . 3.5 m-20 -107.63 141.81 38.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 78' ' ' ASP . 4.1 m -35.37 -52.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.87 -60.53 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.18 -54.89 25.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.82 -61.64 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -47.76 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.6 -47.94 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CG ' ' CD1' ' A' ' 126' ' ' LEU . 25.9 t80 -59.94 -27.89 67.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -84.9 -27.89 26.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 91' ' ' PRO . 31.2 mt -59.11 -13.03 5.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.15 -14.89 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -121.23 -35.28 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.7 166.2 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.467 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.4 Cg_endo -74.14 137.35 23.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.232 . . . . 0.0 112.337 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 108' ' ' GLU . 85.4 t -102.38 116.49 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.72 64.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -163.32 160.45 23.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.69 112.75 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.79 105.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.552 ' HG2' ' HB2' ' A' ' 105' ' ' ALA . 7.2 mtp -99.42 135.17 41.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.459 ' OD1' ' CZ ' ' A' ' 104' ' ' PHE . 9.1 t70 -56.84 150.03 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.25 -29.97 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -52.03 -53.69 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -129.69 -46.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.82 59.17 1.14 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.426 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.61 2.64 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 23.5 p90 -156.64 164.91 37.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' ' 97' ' ' MET . . . -161.19 139.71 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.2 mm -91.9 108.4 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.5 t -94.11 116.12 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.747 ' O ' HG13 ' A' ' 92' ' ' VAL . 27.0 tt0 -101.32 150.34 23.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.5 mtp -115.22 162.07 17.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.38 -80.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.62 178.72 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.08 -36.1 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.52 -44.48 90.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.41 91.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.076 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -61.36 -31.57 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.3 -56.87 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -40.5 -61.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.0 t -50.99 -48.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.81 -25.15 60.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 t -95.17 41.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.421 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 22.1 tm0? -113.85 140.58 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 m -60.93 -74.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.421 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 40.4 mt-30 -133.75 121.42 21.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -81.2 134.11 35.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -154.21 131.98 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.562 ' CD1' ' CG ' ' A' ' 85' ' ' TYR . 14.2 tp -93.31 48.48 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.55 89.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 103.82 -52.15 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -105.3 160.39 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -102.88 160.65 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 77.1 mt -130.44 133.79 46.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -89.72 79.19 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 70' ' ' VAL . 53.3 t -93.88 128.81 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -152.01 150.67 26.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.68 128.28 10.63 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -39.82 -64.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -105.93 168.22 9.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -68.97 141.84 54.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 139' ' ' LYS . 10.4 pttm -94.15 87.18 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -140.81 152.07 44.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -131.81 152.59 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -103.41 -56.3 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.8 m -140.43 144.23 36.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.98 144.59 21.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -90.37 143.47 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.6 t -101.44 101.03 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -54.65 131.82 44.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.97 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.2 t -110.37 144.17 29.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -77.92 -173.97 2.04 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -47.16 -50.11 21.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -145.5 142.25 29.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 p -163.24 169.42 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -112.55 -89.32 1.82 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -89.81 113.99 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -163.62 131.93 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.22 42.19 0.2 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -113.15 169.88 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 110.928 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -130.84 83.44 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.428 ' OG ' HD12 ' A' ' 65' ' ' LEU . 1.9 p -159.11 157.43 31.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.43 HG23 ' HB ' ' A' ' 107' ' ' VAL . 6.7 m -150.82 129.49 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 71.2 t80 -86.9 110.11 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 133' ' ' VAL . 78.5 t -104.31 133.5 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 t -160.95 155.56 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 28.97 5.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -95.7 151.37 38.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -75.95 154.47 38.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -63.26 133.74 54.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.94 -36.18 3.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -49.23 131.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -109.87 146.56 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.8 p -39.86 -45.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.01 63.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.57 -46.09 89.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.54 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.8 p -59.33 -57.76 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.74 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.8 tt0 -50.64 -46.62 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -63.43 -39.44 94.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.53 -23.54 56.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 84' ' ' GLU . 29.7 mt -64.87 -14.85 60.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.73 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.4 -26.46 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.407 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 177.83 161.65 26.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.527 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.5 Cg_endo -73.69 122.27 7.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.69 99.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.53 -48.34 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -166.74 156.51 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.467 HG12 ' HG2' ' A' ' 97' ' ' MET . 85.6 t -122.59 101.09 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.52 93.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.467 ' HG2' HG12 ' A' ' 95' ' ' VAL . 39.7 mmm -85.06 117.51 24.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -38.69 143.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -116.32 -19.02 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.08 -61.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -108.65 -56.71 2.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 49.81 1.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.97 0.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 14.8 p90 -148.67 159.29 44.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.49 136.44 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.691 HD12 ' HE ' ' A' ' 136' ' ' ARG . 4.9 mm -92.55 108.41 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.43 ' HB ' HG23 ' A' ' 68' ' ' VAL . 25.3 t -97.01 129.51 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -105.32 169.37 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.3 mmm -136.52 143.96 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.23 -72.61 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -106.05 174.04 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.4 p -67.38 -42.29 87.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.435 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -57.84 -35.58 75.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB1' ' HA3' ' A' ' 90' ' ' GLY . . . -59.78 -51.94 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -29.4 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.3 t -51.85 -49.08 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 135' ' ' PRO . 50.9 mt -59.33 -14.08 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.3 m -99.53 30.64 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 11.1 tp60 -113.79 108.91 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -39.26 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.37 133.0 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -92.84 157.52 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.5 p -169.29 128.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.431 ' HB2' HD11 ' A' ' 131' ' ' LEU . 15.8 tp -93.99 62.67 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.9 -41.44 2.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.31 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -82.32 162.87 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -105.56 126.65 52.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 126' ' ' LEU . 71.1 mt -102.3 146.93 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -108.28 82.87 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 70' ' ' VAL . 28.1 t -92.91 118.25 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -120.47 153.12 56.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.698 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.615 ' HB3' HD21 ' A' ' 119' ' ' LEU . 61.9 Cg_endo -76.26 105.94 2.17 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.691 ' HE ' HD12 ' A' ' 106' ' ' ILE . 3.7 mtt-85 -52.11 145.43 10.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -148.08 -176.91 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -155.94 169.34 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -130.8 43.01 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -96.99 -59.67 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.489 ' O ' ' CG ' ' A' ' 141' ' ' PHE . 38.4 t80 62.23 41.79 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -142.11 119.27 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.2 t -123.19 145.09 45.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.5 173.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -115.97 -50.78 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.6 t 47.03 41.93 11.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -47.92 -43.44 28.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 77.3 p -155.42 144.03 14.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -46.13 171.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.27 166.8 22.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -153.59 146.29 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 p -108.08 -39.56 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.57 76.75 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.8 p -147.88 147.94 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -123.87 123.57 40.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.5 -46.43 0.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.44 98.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 109' ' ' MET . 3.6 mtp-105 -107.23 44.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 53.9 p -139.69 143.84 37.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.409 HG12 ' NH1' ' A' ' 115' ' ' ARG . 27.0 m -137.86 142.57 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -82.28 119.47 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -115.93 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.3 p -154.96 166.49 33.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.87 28.33 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.454 ' HB2' HG21 ' A' ' 77' ' ' VAL . 9.4 p90 -96.46 151.16 37.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.2 Cg_endo -75.44 130.59 12.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.339 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -39.46 136.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.48 -31.75 6.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 74' ' ' PRO . 85.5 t -49.83 132.8 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.114 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -111.27 151.73 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.3 p -45.76 -40.93 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.29 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -53.35 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.2 mt -53.5 -56.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.669 ' HA ' HG21 ' A' ' 92' ' ' VAL . 8.6 t -47.15 -59.25 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 87' ' ' LEU . 6.7 tt0 -46.57 -57.71 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.9 t80 -53.88 -28.56 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 107' ' ' VAL . 28.1 m-85 -81.5 -30.8 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 84' ' ' GLU . 98.3 mt -58.51 -24.85 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CD1' ' OE1' ' A' ' 121' ' ' GLN . 53.3 m-85 -119.58 -29.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.4 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 174.1 151.04 8.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.409 ' HA ' HD23 ' A' ' 87' ' ' LEU . 72.5 Cg_exo -46.51 153.22 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' A' ' 83' ' ' SER . 65.9 t -110.7 96.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.8 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -169.72 169.2 8.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.4 t -143.9 120.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.26 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.0 mtp -96.63 129.61 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -53.09 165.07 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' ASP . 20.1 tptm -124.6 -52.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 t0 -37.26 -47.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -123.98 -46.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.04 51.96 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 m -118.62 -26.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -123.42 159.81 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.29 142.51 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -93.81 117.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.486 HG21 ' CE2' ' A' ' 86' ' ' PHE . 55.1 t -102.27 147.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.8 157.31 40.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.442 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 15.1 mmm -117.82 145.51 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -46.68 -53.56 9.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.14 170.58 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 113' ' ' GLY . 5.5 p -60.47 -46.06 95.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.467 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -47.0 -52.52 11.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -45.2 -55.73 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.336 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 67' ' ' SER . 15.3 ttt85 -49.22 -51.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -47.64 -46.57 28.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.95 -62.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.2 t -45.35 -53.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.54 -31.96 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -91.19 29.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.419 ' OE1' ' CD1' ' A' ' 89' ' ' PHE . 6.8 tp60 -106.48 151.58 24.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.2 m -59.75 -74.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -128.67 169.23 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -129.16 150.14 50.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 7.9 t -173.78 146.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.0 tp -110.66 40.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.74 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.91 -55.18 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 68.0 m80 -116.86 177.75 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -110.64 172.89 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.48 150.21 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -113.21 51.59 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.51 143.14 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.32 145.37 7.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.37 149.76 2.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -95.57 124.25 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -133.56 143.06 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -84.83 129.9 34.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -111.76 29.84 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -112.63 83.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.62 81.52 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -100.32 93.76 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.5 p -171.2 144.06 1.66 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.705 0.764 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 71.5 Cg_exo -45.96 -29.0 5.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 144' ' ' PRO . . . 70.27 32.85 2.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.05 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 69.4 p -100.12 91.58 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -140.08 106.62 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 61.1 p -85.97 143.64 37.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.716 0.769 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -78.62 138.34 15.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.236 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -166.78 146.76 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.528 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -154.23 137.32 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -69.74 133.23 47.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.13 108.24 2.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.0 t -95.3 143.6 26.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.9 t -59.0 -48.24 82.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.32 99.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.63 -40.15 74.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 55.0 45.22 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.2 t -138.33 156.75 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.91 149.35 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -91.11 118.19 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.57 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 78.2 t -112.78 127.61 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -151.08 165.28 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.78 33.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -90.7 143.74 29.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.99 158.44 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.301 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -72.84 127.56 32.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 106.98 -36.26 4.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 76' ' ' GLY . 80.7 t -35.04 125.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -104.48 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.5 p -60.78 -41.45 95.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.32 -58.72 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -55.24 -56.51 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.68 -56.53 7.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.1 t -54.53 -51.83 63.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.96 -42.92 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 125' ' ' SER . 19.7 t80 -69.95 -29.52 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 31.1 m-85 -81.62 -23.57 36.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 87' ' ' LEU . 21.0 mt -62.57 -24.34 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.81 65.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 78.6 m-85 -111.56 -37.1 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.05 166.59 38.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' HD23 ' A' ' 87' ' ' LEU . 59.4 Cg_endo -72.6 124.93 10.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 86' ' ' PHE . 76.0 t -85.64 107.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HB3' ' CB ' ' A' ' 108' ' ' GLU . . . -50.52 -45.63 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t -173.92 158.33 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.435 HG12 ' HG3' ' A' ' 97' ' ' MET . 98.2 t -122.85 99.45 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.3 t -88.48 100.34 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.435 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.1 mtp -95.35 136.85 35.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.32 156.07 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -111.29 -35.2 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -48.12 -60.41 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -125.21 -46.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.61 55.0 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.5 m -114.34 4.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -158.56 167.89 28.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.97 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.89 107.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 86' ' ' PHE . 53.1 t -91.73 117.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' CB ' ' HB3' ' A' ' 93' ' ' ALA . 71.8 mt-10 -94.58 161.83 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.0 mmm -125.49 152.99 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.07 -59.64 10.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -121.88 173.13 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 113' ' ' GLY . 8.0 p -67.41 -44.09 87.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.466 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -52.34 -36.63 46.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.1 93.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -68.31 -35.29 77.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -59.32 -36.57 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.95 -56.94 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 52.9 t -48.77 -47.45 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.09 -30.19 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -96.33 36.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -102.55 154.67 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m -61.98 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -140.04 122.1 15.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 73.4 m-70 -78.01 131.52 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.541 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 2.3 t -148.51 153.16 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.0 tp -113.17 32.68 5.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.02 -82.01 0.8 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.541 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.39 -44.08 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -109.09 172.94 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -106.16 174.37 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 55.0 mt -134.79 151.87 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -111.45 88.02 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 70' ' ' VAL . 51.9 t -99.92 132.3 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -136.23 150.49 71.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.92 131.25 13.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.7 tpt85 -54.66 -58.15 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.72 127.85 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.31 104.72 11.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -116.36 123.38 47.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.444 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 4.7 tp10 -81.63 -45.37 15.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 140' ' ' GLU . 88.8 m-85 -124.36 117.68 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -57.26 -30.58 64.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 m -155.49 155.78 30.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.701 0.762 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.15 -44.18 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -99.02 168.16 10.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.2 t -73.47 148.37 43.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -79.78 175.14 10.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 15.3 m -151.06 149.71 25.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 150' ' ' LYS . 62.0 Cg_endo -77.65 158.11 32.0 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' PRO . 34.6 tttt -37.48 131.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.9 t -91.24 135.9 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.0 m -159.82 176.64 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.2 -113.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.4 t -110.6 157.08 20.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 p -116.22 174.37 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.88 117.1 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 5.9 mp -86.98 -40.0 15.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.9 mtm-85 -109.58 82.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.404 ' C ' ' HG3' ' A' ' 136' ' ' ARG . 72.3 m -157.16 168.66 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -150.7 134.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 33.1 t80 -76.93 112.22 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 67.7 t -110.78 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.1 t -130.78 156.28 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' O ' HD23 ' A' ' 131' ' ' LEU . . . 98.7 29.8 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -94.99 156.94 37.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.802 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.0 Cg_endo -75.47 147.71 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.29 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.3 mtm-85 -52.09 155.7 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 74' ' ' PRO . 76.3 t -43.39 135.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -123.09 150.82 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.4 p -45.15 -36.58 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.22 31.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -53.52 -55.66 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.4 mt -52.27 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.9 p -39.91 -52.49 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' A' ' 87' ' ' LEU . 3.6 tt0 -50.75 -50.56 55.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.32 -26.41 68.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.46 ' CE2' HG21 ' A' ' 107' ' ' VAL . 30.2 m-85 -88.15 -20.01 26.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 84' ' ' GLU . 32.8 mt -64.2 -17.72 63.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.09 -12.22 61.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.645 ' CZ ' ' NE2' ' A' ' 121' ' ' GLN . 53.8 m-85 -124.48 -15.74 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.76 160.49 12.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.524 ' HA ' HD23 ' A' ' 87' ' ' LEU . 59.8 Cg_endo -73.14 127.6 12.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.422 HG11 ' CG2' ' A' ' 95' ' ' VAL . 43.5 t -89.72 102.46 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.14 -53.64 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 t -162.2 158.51 24.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.422 ' CG2' HG11 ' A' ' 92' ' ' VAL . 67.4 t -126.11 103.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.26 100.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.9 ptp -108.27 136.34 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -51.92 131.98 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -91.45 -37.86 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -47.23 -49.66 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -131.98 -48.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.11 54.83 2.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.63 -9.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 13.9 p90 -151.53 157.42 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.02 143.83 27.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 136' ' ' ARG . 8.7 mm -104.21 105.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.46 HG21 ' CE2' ' A' ' 86' ' ' PHE . 22.0 t -92.38 122.35 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.21 138.19 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmm -99.23 154.0 18.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -65.05 -64.49 3.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.81 165.55 11.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 113' ' ' GLY . 6.3 p -61.48 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -50.81 -31.85 24.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.87 -48.78 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 65' ' ' LEU . 24.3 ttt180 -62.85 -29.32 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.86 -48.38 71.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.21 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.24 -58.03 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.09 -23.05 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -99.17 28.89 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.645 ' NE2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 tt0 -100.13 148.74 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -61.46 -75.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -132.16 136.34 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 79.9 m-70 -97.39 124.27 41.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.9 p -154.02 121.93 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 tp -90.08 114.61 26.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.32 -98.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.52 32.32 3.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -128.47 -177.04 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -123.43 134.23 53.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 72' ' ' GLY . 65.0 mt -119.06 165.25 14.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -127.65 84.79 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.96 115.29 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -124.09 152.82 67.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.89 152.22 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.639 ' HD2' HG23 ' A' ' 106' ' ' ILE . 0.6 OUTLIER -88.71 177.55 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' ARG . 40.4 mm-40 36.24 39.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -117.27 96.75 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -124.62 38.95 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 139' ' ' LYS . 4.0 pt-20 34.43 39.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -103.52 -67.36 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -121.11 155.65 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.0 m -129.56 92.78 36.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.23 112.08 3.4 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -105.7 91.61 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.3 t -130.94 103.77 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -80.2 102.34 9.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.9 m -107.6 92.9 9.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.28 91.79 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -172.64 110.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 179.942 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 p -83.38 93.62 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.819 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.7 t -151.05 154.12 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.11 169.05 12.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.4 p -133.36 42.8 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.1 m -132.29 130.4 40.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.89 77.33 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.58 154.04 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -123.92 41.3 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.4 m -125.87 161.91 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 115' ' ' ARG . 13.7 m -141.47 135.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 104' ' ' PHE . 30.0 t80 -79.42 113.92 17.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 107' ' ' VAL . 85.8 t -108.78 131.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.457 ' HB3' ' CE1' ' A' ' 69' ' ' PHE . 24.5 p -158.24 172.89 17.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.33 22.52 56.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.45 156.14 53.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.86 148.02 27.84 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.51 136.84 56.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.36 -26.57 10.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.19 125.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 0.0 111.111 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -101.25 -176.45 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -79.75 -7.54 58.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.11 -47.81 9.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.27 -43.0 92.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.6 mt -58.87 -52.01 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.0 p -56.12 -57.93 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.0 -45.41 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.775 ' CD2' HD13 ' A' ' 126' ' ' LEU . 5.9 t80 -64.97 -24.77 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -92.25 1.63 57.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.4 -15.08 53.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.27 -1.71 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -126.71 -36.37 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.41 ' HA3' ' CB ' ' A' ' 114' ' ' ALA . . . -174.03 172.75 45.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.55 126.85 9.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -88.83 118.9 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.72 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -168.18 156.63 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.17 101.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.25 100.85 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.4 ptm -116.68 136.54 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.63 142.69 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -105.13 -53.33 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -44.16 -50.05 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -108.81 -51.03 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.75 68.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.35 -28.81 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 14.3 p90 -132.73 156.37 47.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.11 124.6 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.3 mm -81.7 107.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 70' ' ' VAL . 42.7 t -91.01 106.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -92.29 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mmm -108.46 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -87.53 -59.52 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.09 165.39 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -68.44 -20.92 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.37 -43.55 45.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.41 ' CB ' ' HA3' ' A' ' 90' ' ' GLY . . . -52.36 -49.49 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.083 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.413 ' HG3' ' CG1' ' A' ' 68' ' ' VAL . 22.6 ttt180 -58.55 -50.09 75.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -52.76 -42.69 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.11 -49.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.1 -34.98 75.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -90.03 37.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.434 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 18.8 tm0? -106.76 148.64 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.7 m -66.81 -74.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.434 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 89.0 mt-30 -131.8 138.06 48.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -103.65 145.88 29.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.1 p -164.19 148.46 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.775 HD13 ' CD2' ' A' ' 85' ' ' TYR . 15.8 tp -127.11 90.94 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.75 95.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.42 -45.93 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -57.07 177.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -119.67 159.43 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' A' ' 126' ' ' LEU . 69.4 mt -137.69 148.71 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -114.87 74.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.3 t -78.24 135.2 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -151.05 144.02 16.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.61 143.75 5.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -68.92 148.27 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.73 142.44 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -89.6 -57.05 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.5 tttt 42.23 46.14 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -119.59 149.43 41.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -91.85 47.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 143' ' ' SER . 19.8 tp60 -76.47 99.08 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 142' ' ' GLN . 74.3 p -33.49 96.36 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 0.0 110.82 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 142' ' ' GLN . 71.5 Cg_exo -45.83 108.95 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -126.22 112.78 16.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 41.1 t -125.2 114.4 18.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -130.41 89.52 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 25.7 p -163.3 154.8 14.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.687 0.756 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.11 179.36 6.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -54.32 -45.1 72.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -69.85 98.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -81.11 129.41 34.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.24 -67.19 0.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -99.3 36.87 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.9 p -170.33 145.93 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.53 138.92 11.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 65' ' ' LEU . 6.2 mp -65.4 -41.3 93.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -114.98 70.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -151.04 174.03 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 107' ' ' VAL . 5.8 m -148.0 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -91.11 116.45 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 133' ' ' VAL . 93.6 t -116.38 131.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.7 p -159.27 166.87 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.06 21.53 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.05 154.77 47.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.6 170.79 19.24 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -75.87 130.03 37.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.06 -36.06 3.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 133.23 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -114.52 150.64 34.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.3 p -48.2 -31.25 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.79 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.28 -46.75 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.74 -55.28 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.9 p -49.56 -58.45 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -48.82 -38.29 21.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.721 ' CD2' HD13 ' A' ' 126' ' ' LEU . 15.0 t80 -76.47 -28.54 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.34 -11.34 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 84' ' ' GLU . 38.3 mt -75.1 -10.06 59.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.16 -7.2 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -126.67 -28.75 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.09 167.36 35.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.67 129.57 13.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.7 t -93.34 107.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.36 -47.99 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 m -173.46 158.69 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 107' ' ' VAL . 73.5 t -125.2 109.32 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.48 82.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.448 ' HG3' HG12 ' A' ' 95' ' ' VAL . 71.7 mtp -76.21 114.78 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.01 149.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -108.66 -30.32 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -55.25 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 103' ' ' VAL . 19.1 mmtt -126.2 3.5 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' LYS . . . 37.66 27.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 1.2 p -75.55 -8.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 104' ' ' PHE . 4.2 p90 -156.78 164.37 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.55 130.41 14.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.5 mm -82.42 107.73 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 95' ' ' VAL . 20.7 t -96.45 118.59 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.21 164.2 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.6 mmm -130.76 152.77 49.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -54.11 -79.96 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -111.15 168.79 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.58 -37.57 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.02 -39.36 68.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.66 -55.99 14.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 65' ' ' LEU . 26.1 ttp180 -53.88 -38.77 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.57 -44.21 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.96 -54.91 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.32 -45.66 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 135' ' ' PRO . 94.0 mt -60.77 -30.54 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -97.78 50.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 3.5 tm0? -115.83 143.14 45.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -58.4 -72.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 6.8 tm0? -137.0 122.96 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -83.87 120.0 25.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 t -146.24 121.29 10.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 85' ' ' TYR . 17.1 tp -91.71 99.11 12.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.16 27.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.96 -39.74 2.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.23 115.16 6.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -67.08 143.73 56.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.68 133.45 38.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -95.02 90.0 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 70' ' ' VAL . 48.9 t -98.33 127.91 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -139.95 149.2 58.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.408 ' HG3' HD22 ' A' ' 119' ' ' LEU . 71.2 Cg_exo -45.64 158.16 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -120.09 95.72 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -154.14 169.53 23.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -116.15 139.91 49.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -68.23 171.57 6.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -145.73 122.63 11.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -68.24 136.64 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -174.97 133.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 59.7 m -151.54 144.23 16.76 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.654 0.74 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.16 173.89 13.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -167.51 176.36 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.0 t -65.27 109.15 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -58.53 138.61 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 59.8 p -82.2 150.55 64.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.659 0.742 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.95 121.48 5.86 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 169.13 9.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.49 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -124.28 88.82 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.1 t -94.24 96.53 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.1 -110.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t 63.47 41.1 7.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.4 p 40.23 43.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.46 81.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 pp -57.64 165.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -116.56 80.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -164.99 145.75 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.2 m -120.91 139.03 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 79.8 t80 -83.49 123.82 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.901 HG22 HG22 ' A' ' 133' ' ' VAL . 56.1 t -120.89 125.73 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.0 p -149.1 153.81 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 33.25 7.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -93.47 156.99 39.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.542 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.8 Cg_endo -76.64 144.04 24.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -50.66 156.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.87 -41.3 2.74 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 74' ' ' PRO . 95.3 t -44.74 120.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -106.29 148.32 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.0 p -39.28 -59.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.56 -53.41 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' LEU . 56.1 mt-30 -52.77 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.455 HD22 ' HE2' ' A' ' 86' ' ' PHE . 29.1 mt -37.02 -50.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 t -53.18 -61.63 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 87' ' ' LEU . 3.6 tt0 -46.43 -36.54 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -76.8 -29.4 56.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.455 ' HE2' HD22 ' A' ' 82' ' ' LEU . 41.9 m-85 -87.64 -1.77 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 84' ' ' GLU . 25.5 mt -78.34 -16.09 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.47 -18.57 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -115.1 -27.83 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.74 164.73 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -75.56 125.41 8.94 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.364 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.444 HG21 ' HB2' ' A' ' 86' ' ' PHE . 91.7 t -87.14 120.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.19 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -167.41 151.25 6.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.25 96.04 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.34 97.95 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.64 145.28 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.75 150.9 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -115.65 -42.17 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.38 -47.3 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -121.92 -54.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.72 64.81 1.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.31 -40.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.488 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 13.2 p90 -120.15 163.57 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -159.78 135.42 8.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.9 mm -87.8 112.98 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.6 t -100.04 98.13 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.48 150.35 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 53.0 mmm -114.35 167.78 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -69.04 -69.92 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -121.23 178.71 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.9 p -59.26 -42.32 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -53.25 -39.16 58.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.96 55.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.2 -38.65 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.85 -52.49 63.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.45 -46.92 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.53 -42.01 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -88.15 41.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.607 HE22 ' N ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -106.92 163.12 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.0 m -99.02 -74.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.476 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 51.7 mt-30 -130.55 109.17 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.607 ' N ' HE22 ' A' ' 121' ' ' GLN . 67.3 m-70 -71.63 154.62 41.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.4 p -169.9 120.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.8 tp -93.15 87.04 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.66 44.35 79.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.73 -39.18 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.27 163.54 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -110.31 148.52 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.98 156.75 48.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -120.66 88.99 3.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.901 HG22 HG22 ' A' ' 70' ' ' VAL . 43.6 t -101.77 136.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 157.07 32.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 108.4 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -41.82 114.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.63 160.16 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -145.63 165.42 28.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -129.99 162.98 27.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.81 150.56 21.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -113.44 171.61 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -38.59 144.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.9 p -125.57 92.64 46.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.87 -49.86 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.74 2.293 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -174.6 108.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.1 t -79.54 101.34 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.64 127.47 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 56.0 p -126.04 96.64 36.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.16 154.95 47.14 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.399 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -116.2 99.52 7.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.6 p -51.69 133.61 30.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.4 p -108.08 168.79 9.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.34 57.93 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.6 p -148.92 162.7 39.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 m -61.91 -52.26 64.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.66 57.97 1.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.63 149.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -91.39 43.92 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 p -110.34 156.92 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 68' ' ' VAL . 18.7 m -141.07 129.08 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 18.6 t80 -85.67 117.26 24.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 59.2 t -110.89 125.81 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 18.5 t -145.16 150.33 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.34 32.29 5.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -93.41 144.3 28.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.678 0.751 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.61 165.61 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -75.83 125.93 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 110.09 -37.96 3.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' GLY . 99.5 t -36.4 136.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -129.11 158.18 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.7 t -43.78 -42.42 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.64 -57.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -62.37 -57.47 11.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.9 mt -42.51 -52.42 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -51.93 -50.32 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.4 tt0 -56.33 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CG ' HD12 ' A' ' 126' ' ' LEU . 15.5 t80 -66.3 -22.86 66.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.452 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 30.8 m-85 -89.52 -23.57 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 91' ' ' PRO . 30.9 mt -62.04 -24.08 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 -18.78 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 121' ' ' GLN . 62.5 m-85 -116.09 -31.22 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.52 162.02 28.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.544 ' HA ' HD23 ' A' ' 87' ' ' LEU . 58.9 Cg_endo -72.07 137.11 28.42 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 108' ' ' GLU . 73.5 t -97.91 121.54 48.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB3' ' OE1' ' A' ' 108' ' ' GLU . . . -67.61 -49.64 62.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.5 m -163.59 159.36 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.7 120.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.4 t -104.76 102.43 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 32.2 mmm -87.14 129.92 34.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.454 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 36.8 t70 -45.55 116.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 10.55 18.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -93.94 -57.25 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -123.26 -67.59 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.72 2.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 98' ' ' ASP . 14.1 p90 -158.45 166.99 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.05 148.21 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.83 95.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 86' ' ' PHE . 37.8 t -76.6 136.63 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.516 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -114.17 134.43 54.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 51.9 mmm -102.82 128.92 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' MET . . . -35.84 -72.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.58 179.29 4.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.3 p -72.43 -47.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.513 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -46.75 -43.93 16.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.93 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ARG . . . . . 0.443 ' NH1' HD11 ' A' ' 119' ' ' LEU . 36.2 ttp85 -65.66 -46.95 77.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.75 -45.26 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.61 -59.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -44.11 -52.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.443 HD11 ' NH1' ' A' ' 115' ' ' ARG . 28.9 mt -62.39 -27.43 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -98.8 41.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 tt0 -108.22 152.17 24.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m -65.63 -74.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 91.7 mt-30 -132.56 127.13 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -88.61 129.65 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 84.1 p -157.32 149.33 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.553 HD12 ' CG ' ' A' ' 85' ' ' TYR . 13.7 tp -105.69 -55.68 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.81 71.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.96 -38.65 3.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.499 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -108.75 172.82 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -108.95 148.42 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.06 115.51 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.86 80.01 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -80.72 129.22 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -141.38 153.82 66.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.33 108.11 2.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.96 112.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -138.93 136.41 35.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -135.21 148.51 49.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -134.99 154.78 51.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -99.18 124.55 44.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -45.73 -54.45 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -135.81 111.44 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.0 t -68.56 142.25 93.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.57 130.45 9.84 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.367 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -43.49 142.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 33.4 t -127.88 142.01 51.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.7 121.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 76.9 p -96.27 152.33 38.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.9 171.54 17.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -48.98 -33.75 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.3 p -70.72 -49.38 47.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 t -70.04 115.95 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.52 117.46 1.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.7 m -85.25 -55.74 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.6 p -74.69 123.33 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.27 105.44 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.14 -175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.35 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -106.52 59.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 m -106.61 155.57 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 107' ' ' VAL . 34.6 m -141.07 147.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -94.02 118.08 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 66.8 t -113.26 141.9 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.8 p -165.28 138.25 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.78 24.69 1.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -89.66 155.41 48.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.24 -179.67 5.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -83.36 148.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.44 27.38 48.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.7 t -97.67 134.4 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.8 m-20 -110.25 134.98 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 78' ' ' ASP . 77.3 p -35.66 -33.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . . . -60.1 -56.35 22.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -50.11 -51.63 41.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.54 -61.77 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.9 p -45.67 -57.57 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.2 tt0 -46.75 -41.67 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' A' ' 126' ' ' LEU . 28.2 t80 -71.99 -25.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 107' ' ' VAL . 33.4 m-85 -91.69 -2.82 56.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 84' ' ' GLU . 47.2 mt -84.47 -11.91 55.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.28 -6.53 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -124.9 -34.65 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.37 165.51 37.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.46 123.74 9.76 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 108' ' ' GLU . 63.1 t -89.06 109.05 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.63 -48.28 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -170.03 167.23 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.37 130.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.6 t -116.11 90.35 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.5 ptm -99.98 128.61 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -49.44 156.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -120.81 -42.27 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.89 -55.34 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -113.05 -54.16 2.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.76 68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 1.94 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -156.12 153.52 29.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.32 127.7 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.8 mm -88.3 103.77 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.611 ' O ' HG22 ' A' ' 68' ' ' VAL . 24.9 t -92.4 122.1 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 92' ' ' VAL . 50.8 tt0 -105.44 163.56 12.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -124.12 -176.7 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -88.26 -47.79 4.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.49 174.77 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.449 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 9.2 p -58.5 -35.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.03 89.29 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.71 -52.77 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -63.59 -26.38 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.61 -37.21 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.97 -50.04 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.34 -52.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.05 -35.5 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.8 t -91.64 42.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.49 138.73 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.7 m -47.41 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -140.04 125.23 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.424 ' CD2' ' HB ' ' A' ' 133' ' ' VAL . 62.1 m-70 -79.67 120.8 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.2 t -147.65 128.33 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 85' ' ' TYR . 22.4 tp -94.81 79.77 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 45.13 61.37 3.55 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.48 -53.68 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -72.31 167.42 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -125.91 127.69 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 39.9 mt -109.12 150.79 27.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -108.42 78.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 124' ' ' HIS . 32.5 t -80.31 120.72 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -126.98 155.98 74.91 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.697 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.67 114.29 3.82 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -42.39 -53.34 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -105.56 161.4 14.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -122.2 -179.16 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -154.44 118.1 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.45 -51.45 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -73.9 140.03 45.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.85 163.74 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 28.7 p -131.57 144.3 52.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.88 109.13 2.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.13 -27.34 53.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 t -72.32 128.87 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.38 159.08 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 87.8 p -122.68 92.95 48.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.67 0.748 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.81 102.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -142.18 149.73 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.3 m -77.56 153.95 32.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 p -116.28 118.39 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -122.05 170.87 15.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.6 m -89.82 -68.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 0.0 110.824 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 p -161.8 158.11 25.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.05 109.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -117.43 154.36 31.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 -130.38 33.68 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.4 p -115.42 153.55 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 107' ' ' VAL . 29.1 m -141.84 135.95 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -82.06 111.92 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.8 142.61 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.7 t -165.62 175.74 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.78 33.23 27.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -98.27 154.63 37.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.536 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.4 Cg_endo -75.56 130.86 13.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.276 . . . . 0.0 112.389 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -42.52 145.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.57 -31.61 8.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 74' ' ' PRO . 88.4 t -56.81 143.68 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -126.0 168.07 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.0 p -58.15 -41.48 83.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -66.35 -54.64 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.79 -56.43 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.6 p -48.44 -56.01 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.6 tt0 -54.72 -27.98 44.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -83.15 -26.07 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.11 -14.05 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 84' ' ' GLU . 30.3 mt -66.57 -32.37 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.19 -15.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -119.42 -38.19 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.13 160.49 32.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.54 ' HA ' HD23 ' A' ' 87' ' ' LEU . 58.9 Cg_endo -72.31 123.28 9.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.564 HG11 ' CG2' ' A' ' 95' ' ' VAL . 83.7 t -81.52 105.23 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB3' ' CB ' ' A' ' 108' ' ' GLU . . . -47.72 -45.35 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -170.72 156.88 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.564 ' CG2' HG11 ' A' ' 92' ' ' VAL . 84.1 t -129.66 97.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.11 105.69 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' A' ' 105' ' ' ALA . 23.9 mmm -88.32 132.62 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.556 ' OD2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 t70 -51.56 136.26 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' NZ ' ' HA ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -100.36 -44.09 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.65 -51.25 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -123.92 -52.33 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 41.93 4.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.52 -38.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CZ ' ' OD2' ' A' ' 98' ' ' ASP . 7.5 p90 -119.41 176.0 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.428 ' HB2' ' SD ' ' A' ' 97' ' ' MET . . . -160.26 144.93 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.03 114.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 68' ' ' VAL . 55.5 t -103.3 124.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 93' ' ' ALA . 72.0 mt-10 -104.03 172.03 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.421 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 25.4 mmm -133.43 161.58 34.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.95 -64.11 2.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.43 160.67 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.88 -30.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.72 96.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -58.15 -53.27 60.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -53.76 -46.92 71.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -57.43 -49.44 76.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.81 -63.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 73.6 t -44.96 -46.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.57 -41.22 98.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.2 t -87.27 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.588 ' NE2' ' H ' ' A' ' 122' ' ' SER . 0.0 OUTLIER -104.25 125.47 50.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.588 ' H ' ' NE2' ' A' ' 121' ' ' GLN . 1.8 m -42.76 -70.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.51 136.18 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 77.6 m-70 -100.13 132.34 45.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 98.4 p -160.32 136.35 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.13 39.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.8 66.57 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 140.72 -60.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -106.18 165.58 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -95.58 158.87 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.8 mt -129.85 165.03 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -129.6 73.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.6 127.92 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -141.74 153.07 64.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.56 135.95 20.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -75.82 67.07 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -96.38 122.78 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 139' ' ' LYS . 3.5 pm0 -118.14 133.09 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 138' ' ' GLN . 38.4 mtmt 35.85 46.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -141.66 143.91 33.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -164.18 127.37 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 53.77 46.24 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 18.4 t -48.33 143.69 6.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.684 0.754 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -78.23 -10.3 16.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -91.8 93.02 8.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 m -82.94 -50.44 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -145.24 142.33 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 53.1 m -81.2 144.17 53.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.39 130.8 11.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -93.21 -51.35 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.774 0.321 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -142.34 166.59 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG23 ' HB ' ' A' ' 107' ' ' VAL . 34.1 m -144.73 149.88 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 19.8 t80 -99.31 115.67 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -113.44 130.48 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -157.21 173.49 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.32 59.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -79.45 156.82 75.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.08 -178.24 4.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -81.56 130.03 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.88 -30.49 5.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.425 ' CG1' ' HG ' ' A' ' 82' ' ' LEU . 67.6 t -57.03 136.32 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 p -66.85 -47.63 71.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.11 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.0 -61.79 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HG ' ' CG1' ' A' ' 77' ' ' VAL . 34.4 mt -42.04 -56.26 2.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 95' ' ' VAL . 4.0 m -48.62 -53.02 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -52.74 -41.97 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.86 -24.95 65.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.62 7.85 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.26 -8.7 50.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.18 -7.02 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.33 -35.76 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.59 179.66 46.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.75 118.61 4.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 108' ' ' GLU . 97.1 t -92.89 131.0 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.09 -54.11 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 m -174.93 169.9 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.486 HG23 ' OG ' ' A' ' 83' ' ' SER . 78.0 t -124.77 99.59 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.8 t -83.14 90.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.0 ptm -100.02 135.12 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.64 133.87 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -98.36 -38.9 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -51.45 -48.18 62.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -119.91 -55.44 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.76 72.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.494 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 104' ' ' PHE . 26.8 m -126.85 -46.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 27.6 p90 -114.48 157.78 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.93 122.41 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.5 mm -80.87 103.15 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.512 ' HB ' HG23 ' A' ' 68' ' ' VAL . 58.3 t -84.55 112.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.699 ' O ' HG13 ' A' ' 92' ' ' VAL . 18.2 mt-10 -93.01 155.55 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.694 ' SD ' HG22 ' A' ' 92' ' ' VAL . 31.0 mmm -128.95 153.85 47.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.65 -73.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.54 159.53 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.2 p -53.54 -43.87 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.443 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -51.07 -47.2 49.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.427 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.91 -55.09 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -58.17 -31.22 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.28 -34.53 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.97 -27.01 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.53 -41.96 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 135' ' ' PRO . 30.8 mt -61.75 -33.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 t -88.74 39.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.543 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 20.6 tm0? -110.88 144.43 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m -64.49 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 15.1 mp0 -135.02 143.96 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 98.3 m-70 -110.44 149.67 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 p -163.97 146.61 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' A' ' 131' ' ' LEU . 16.1 tp -118.33 73.88 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.46 43.73 18.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.76 -52.62 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 129' ' ' HIS . 16.6 m-70 -60.85 158.01 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -100.54 141.48 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 126' ' ' LEU . 68.6 mt -118.71 134.55 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -85.05 61.73 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.6 125.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.68 153.94 72.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.8 ' HB3' HD21 ' A' ' 119' ' ' LEU . 61.3 Cg_endo -76.56 47.59 2.15 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 135' ' ' PRO . 11.9 ttp180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.337 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 p -171.88 146.58 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 m -148.49 134.83 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 31.1 t80 -83.08 100.16 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.97 116.83 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.2 p -143.59 170.66 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.09 24.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -98.43 147.68 33.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.68 176.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -91.27 117.14 29.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.03 -33.02 4.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.19 120.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.498 ' OD2' ' HB3' ' A' ' 80' ' ' ALA . 20.6 p-10 -102.9 154.0 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -43.07 -39.71 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HB3' ' OD2' ' A' ' 78' ' ' ASP . . . -51.29 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -49.87 -63.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.3 mt -40.47 -49.73 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -51.24 -59.14 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.75 -28.86 51.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -80.52 -24.71 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -93.57 -12.6 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.84 -19.11 62.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.81 -10.61 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -124.62 -28.31 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.65 162.36 28.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.25 126.98 9.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.56 108.43 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.12 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -161.32 162.63 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.77 127.59 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.1 t -118.69 96.89 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.8 ptp -99.62 140.08 34.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.92 155.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 -4.64 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -93.77 -58.04 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -105.89 -40.16 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.93 54.66 6.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.5 12.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 15.7 p90 -165.61 157.36 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.12 140.03 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.5 mm -95.48 105.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 77.8 t -94.48 136.22 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.93 159.02 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.5 mmm -125.65 144.51 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -53.25 -74.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -100.42 160.7 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.2 p -55.02 -44.47 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.475 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -54.42 -50.85 55.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -42.51 -45.74 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -62.54 -36.28 82.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.62 -50.63 72.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.86 -58.2 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.418 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 35.7 t -49.58 -46.38 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 119' ' ' LEU . 23.2 mt -65.05 -33.48 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -98.87 43.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 144.51 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.8 m -50.88 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -140.02 121.57 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.418 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 79.1 m-70 -80.48 119.8 23.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -147.84 136.33 21.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.5 ' HB2' HD11 ' A' ' 131' ' ' LEU . 12.3 tp -98.04 49.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.49 82.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.76 -61.36 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -98.66 176.36 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -109.47 168.77 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 126' ' ' LEU . 88.0 mt -137.79 135.62 36.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -99.58 97.03 8.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.7 t -107.12 117.69 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -131.74 144.49 53.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.59 135.78 12.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 17.4 mtm105 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -81.16 155.23 26.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 m -135.49 155.81 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -97.76 117.04 31.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 133' ' ' VAL . 77.3 t -116.3 137.06 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -160.86 160.61 31.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.08 31.15 9.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -95.23 146.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.436 ' HB2' HG23 ' A' ' 77' ' ' VAL . 71.0 Cg_exo -45.56 143.72 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.28 124.09 20.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 111.42 -37.72 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 74' ' ' PRO . 98.7 t -36.86 137.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -109.47 172.28 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -62.28 -46.44 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.3 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.49 -61.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -46.6 -55.5 7.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 p -45.8 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 87' ' ' LEU . 6.2 tt0 -46.55 -58.96 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.14 -21.45 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -91.68 -11.39 37.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 84' ' ' GLU . 43.4 mt -78.34 -5.49 52.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.5 -9.84 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -122.3 -30.89 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.83 167.83 38.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' GLY . 61.7 Cg_endo -76.65 125.44 8.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 108' ' ' GLU . 55.6 t -88.84 119.88 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -167.39 169.44 12.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.3 115.95 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.74 121.15 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 52.3 mtp -115.13 132.53 56.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -55.03 125.33 20.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -89.9 -34.82 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -57.12 -54.83 42.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -112.85 -57.7 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.68 44.85 3.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.56 -36.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -111.9 161.95 15.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -155.1 134.91 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.489 HD12 ' CD ' ' A' ' 136' ' ' ARG . 31.1 mm -93.03 113.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.41 119.75 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.867 ' O ' HG13 ' A' ' 92' ' ' VAL . 31.0 tt0 -103.02 146.83 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -112.29 172.21 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' PRO . . . -74.35 -75.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -104.92 169.2 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.05 -25.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.48 -34.08 78.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.19 -46.23 88.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -61.86 -50.74 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -48.61 -51.78 26.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.57 -59.35 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.35 -49.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.35 -23.55 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -97.33 36.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 20.4 tm0? -109.34 148.85 30.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.3 m -69.36 -73.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.401 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 41.9 mt-30 -134.03 130.66 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -95.18 149.61 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -167.79 149.64 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.6 tp -119.43 58.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.62 92.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.77 -53.25 4.82 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -84.06 159.63 21.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 131' ' ' LEU . 23.2 ttm180 -116.92 147.65 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.419 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 73.4 mt -114.03 144.81 42.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -109.82 86.06 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 70' ' ' VAL . 60.0 t -94.9 135.08 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -148.72 152.38 37.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.65 126.47 8.86 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.489 ' CD ' HD12 ' A' ' 106' ' ' ILE . 3.4 tpm_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 115' ' ' ARG . 29.7 mtt180 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.781 0.324 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -127.39 169.54 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 m -150.25 137.97 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 88.7 t80 -85.87 106.82 17.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.5 t -99.46 124.68 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.1 m -151.36 156.04 39.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.07 32.36 6.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -98.91 156.54 35.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.725 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.01 162.99 31.44 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.18 146.35 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.97 -35.05 5.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.88 142.69 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.075 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -127.12 171.85 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 p -56.54 -38.88 72.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.87 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.3 -56.76 17.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -48.86 -50.49 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -50.28 -61.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.5 tt0 -52.4 -26.45 12.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -81.13 -26.79 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -96.4 -10.9 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 84' ' ' GLU . 22.3 mt -67.61 -19.67 65.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.55 -19.89 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.504 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 23.3 m-85 -113.08 -22.62 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.05 160.4 22.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.4 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -76.0 127.3 9.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 0.0 112.362 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -86.9 121.87 38.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.99 -48.14 46.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 m -156.22 168.17 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -145.37 117.32 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.22 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.3 ptp -100.71 151.11 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -66.94 140.37 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -109.92 -15.36 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.51 -45.85 43.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -130.11 -48.93 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.39 60.2 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.413 HG23 ' HD2' ' A' ' 104' ' ' PHE . 23.8 m -121.21 8.41 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.527 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 39.0 p90 -169.11 158.13 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.3 136.47 11.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 mm -91.51 109.89 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.68 125.15 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -109.87 160.39 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.484 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 12.8 mmm -116.85 172.24 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.43 -39.39 12.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -133.56 169.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 113' ' ' GLY . 14.4 p -61.66 -41.69 91.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -51.92 -46.7 55.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -57.62 -57.34 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 66' ' ' ARG . 2.1 tmm_? -49.68 -27.23 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -79.58 -44.94 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.58 -60.82 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 49.4 t -49.87 -46.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.02 -32.75 74.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -98.11 47.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 1.3 tm0? -106.14 133.26 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.5 p -45.68 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 68.0 mt-30 -137.43 124.95 22.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -85.51 129.94 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -154.35 140.81 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.511 ' HB2' HD11 ' A' ' 131' ' ' LEU . 29.2 tp -115.3 85.71 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.44 49.9 62.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.29 -52.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -64.36 140.06 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -90.23 145.05 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 126' ' ' LEU . 56.6 mt -116.48 158.95 22.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -116.39 96.27 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.5 t -108.95 144.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -155.46 150.89 21.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.66 136.94 12.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.852 0.358 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.1 m -130.2 130.02 44.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 149.16 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -91.57 117.4 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 59.7 t -113.24 143.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 p -169.03 156.9 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.59 18.92 10.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -90.22 144.03 30.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.54 172.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -84.91 119.81 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 114.59 -35.68 4.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' GLY . 94.4 t -36.16 130.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -108.17 160.49 15.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ALA . 38.2 m -51.57 -53.54 37.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' SER . . . -34.06 -55.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.59 -46.54 89.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.73 -60.83 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.0 p -41.75 -52.32 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.3 tt0 -54.95 -49.96 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.559 ' CG ' HD13 ' A' ' 126' ' ' LEU . 35.9 t80 -60.21 -36.87 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 28.3 m-85 -74.49 -32.3 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 91' ' ' PRO . 32.8 mt -55.13 -37.13 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.09 -25.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.44 -40.7 5.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.41 155.03 19.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.464 ' HA ' HD23 ' A' ' 87' ' ' LEU . 71.3 Cg_exo -45.76 155.1 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -122.31 88.69 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -38.09 -49.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -171.99 163.56 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.418 HG12 ' HG2' ' A' ' 97' ' ' MET . 91.8 t -129.68 102.54 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.37 93.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.418 ' HG2' HG12 ' A' ' 95' ' ' VAL . 39.2 mmm -82.74 141.34 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 23.0 t0 -63.1 149.37 45.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -114.54 -44.51 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.23 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -91.06 -57.34 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.09 41.85 6.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.55 -16.17 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.435 ' CE1' ' CG ' ' A' ' 98' ' ' ASP . 15.6 p90 -132.07 176.27 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.411 ' HB2' ' SD ' ' A' ' 97' ' ' MET . . . -168.68 134.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -87.0 112.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 86' ' ' PHE . 92.4 t -102.45 119.37 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.51 151.64 19.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.7 mmm -116.5 149.5 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -43.7 -77.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.62 179.56 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 113' ' ' GLY . 8.2 p -61.67 -40.18 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -52.45 -45.68 58.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -56.61 19.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.524 ' HE ' HD11 ' A' ' 119' ' ' LEU . 22.5 ttt180 -52.92 -39.06 62.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.64 -50.07 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.16 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.2 t -44.47 -47.27 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.524 HD11 ' HE ' ' A' ' 115' ' ' ARG . 46.2 mt -62.96 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 m -96.33 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.703 ' NE2' ' H ' ' A' ' 122' ' ' SER . 0.0 OUTLIER -111.29 135.66 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.703 ' H ' ' NE2' ' A' ' 121' ' ' GLN . 27.3 p -45.16 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.596 ' H ' ' HG ' ' A' ' 122' ' ' SER . 12.7 mm100 -136.7 149.48 47.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 77.8 m-70 -109.79 125.68 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 88.3 p -153.12 126.68 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.559 HD13 ' CG ' ' A' ' 85' ' ' TYR . 62.9 tp -87.62 84.54 7.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.92 39.31 78.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 119.24 -53.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -53.42 167.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -115.79 127.27 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 82.6 mt -114.83 134.99 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -99.7 84.04 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.04 131.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -146.86 143.94 19.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.57 149.41 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 26.0 mtm105 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.816 0.341 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -126.02 136.1 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 107' ' ' VAL . 15.7 m -125.18 139.43 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 51.5 t80 -82.33 109.2 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.66 137.49 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.0 p -162.31 178.61 8.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.15 35.43 49.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -99.67 151.26 37.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 172.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' CB ' HH11 ' A' ' 75' ' ' ARG . 5.4 ttp-105 -91.37 113.76 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.64 -21.12 7.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.6 t -49.01 136.0 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.345 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -113.17 147.72 36.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.0 m -43.01 -36.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.46 96.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.68 -51.51 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.89 -54.25 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.409 ' HA ' HG21 ' A' ' 92' ' ' VAL . 58.7 p -46.84 -53.92 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.608 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -49.68 -46.71 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -70.36 -25.06 63.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -90.16 -8.49 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 84' ' ' GLU . 32.4 mt -76.98 -12.33 59.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.62 -14.16 60.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 44.1 m-85 -122.56 -21.19 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.542 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 172.21 161.81 23.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.544 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.4 Cg_endo -76.22 121.16 5.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 83' ' ' SER . 98.8 t -77.07 109.41 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.28 -49.67 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -165.84 163.63 18.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.86 129.95 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.94 102.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.47 148.37 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.61 127.51 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -90.03 -1.02 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.11 -58.7 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -121.36 -28.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.59 53.25 8.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 m -101.75 -38.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 30.7 p90 -123.37 156.58 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.85 143.82 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -97.82 104.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 68' ' ' VAL . 97.6 t -95.92 115.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -88.76 172.68 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mmm -136.14 153.15 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.01 -73.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.18 162.18 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.49 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.22 -48.15 76.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.542 ' HB1' ' HA3' ' A' ' 90' ' ' GLY . . . -53.63 -48.46 69.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -59.62 -43.18 93.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.75 -38.05 86.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.94 52.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -53.45 -53.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.58 -34.07 72.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 m -88.21 28.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.558 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp60 -101.64 145.94 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.8 m -61.61 -73.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -134.9 147.81 49.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 95.4 m-70 -113.04 140.19 48.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.0 p -156.11 137.52 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 18.3 tp -102.21 72.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 88.86 -53.79 4.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -150.78 -41.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -75.12 169.53 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -108.88 133.86 52.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.6 mt -100.31 154.5 18.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -110.81 99.83 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -150.3 152.55 33.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.642 0.734 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.64 139.54 10.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.83 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.2 m -128.26 178.0 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 m -153.09 142.4 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 51.5 t80 -80.39 125.26 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.27 123.87 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -151.89 -177.87 6.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.17 33.94 61.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -98.44 156.67 35.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.599 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.7 Cg_endo -76.71 138.91 19.52 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 157.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.48 -30.68 6.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 74' ' ' PRO . 59.3 t -63.64 130.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -117.22 160.05 21.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 m -43.47 -51.02 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.81 -64.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -46.29 -47.69 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.87 -61.43 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.3 p -43.27 -57.08 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.2 tt0 -51.36 -41.14 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -71.09 -26.3 62.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' A' ' 107' ' ' VAL . 10.5 m-85 -91.3 -15.86 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 84' ' ' GLU . 28.3 mt -65.24 -21.61 66.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.47 -15.69 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -117.49 -32.54 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.73 162.14 30.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.485 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -75.12 134.3 17.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 108' ' ' GLU . 69.3 t -97.27 121.1 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.517 ' HB3' ' HG2' ' A' ' 108' ' ' GLU . . . -67.22 -46.71 73.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.5 m -165.95 154.72 11.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.4 t -124.19 118.62 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.35 107.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.459 ' HG2' ' CB ' ' A' ' 105' ' ' ALA . 33.8 mtp -105.73 124.16 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.55 129.26 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -100.91 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.24 -46.48 82.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -118.87 -57.66 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.63 60.64 1.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 104' ' ' PHE . 19.2 m -124.27 -42.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 0.0 111.094 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.426 ' N ' HG23 ' A' ' 103' ' ' VAL . 11.3 p90 -116.04 164.45 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 97' ' ' MET . . . -154.85 130.31 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.86 113.12 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 86' ' ' PHE . 35.1 t -97.34 115.27 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 92' ' ' VAL . 27.0 tt0 -93.64 150.97 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 50.8 mmm -115.66 161.34 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.81 -80.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -111.39 174.9 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.93 -40.77 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.58 83.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -53.59 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -50.09 -46.5 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -53.5 -52.75 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.33 -51.93 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.4 t -65.23 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.99 -16.2 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 t -98.95 30.05 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.466 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 10.4 tp60 -113.2 107.2 15.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.5 p -40.8 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.62 142.69 49.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 84.6 m-70 -106.67 144.23 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.4 p -156.29 137.95 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 127' ' ' GLY . 40.4 tp -112.53 103.5 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 126' ' ' LEU . . . 36.0 57.21 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.471 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.89 -49.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.449 ' CG ' ' HG3' ' A' ' 74' ' ' PRO . 28.6 m-70 -60.4 176.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -135.5 121.65 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 17.4 mt -103.31 157.82 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -116.14 81.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.85 137.87 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.89 147.89 8.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.6 121.89 4.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.817 0.341 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -128.31 165.42 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 m -144.83 153.51 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -95.94 114.73 26.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -112.45 144.17 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.3 p -173.17 178.25 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.88 25.46 55.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -88.04 157.61 50.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.98 129.51 10.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -43.68 121.68 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.18 -10.79 6.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -73.38 134.29 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -116.57 141.9 47.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -36.96 -34.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.53 77.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' ASP . 60.9 mt-30 -61.45 -48.78 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.26 -59.17 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -44.98 -52.13 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.72 -46.49 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.1 t80 -61.12 -23.17 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 107' ' ' VAL . 29.1 m-85 -93.0 -23.69 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 87' ' ' LEU . 19.9 mt -62.65 -15.39 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.12 -24.09 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.46 -26.14 9.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.48 166.06 33.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.12 134.83 19.99 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.637 2.225 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.4 t -96.23 112.42 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.3 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -167.85 162.38 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.83 120.64 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.69 110.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 35.3 mtp -101.39 132.96 46.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CG ' ' CE2' ' A' ' 104' ' ' PHE . 9.6 t70 -57.46 171.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -128.13 -40.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.34 -51.35 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -125.5 -37.58 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.94 47.3 11.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.69 11.83 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 98' ' ' ASP . 25.8 p90 -159.24 155.81 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -154.94 144.04 21.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -93.51 108.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 86' ' ' PHE . 51.6 t -93.57 131.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.88 173.34 6.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 10.5 mtp -141.84 152.13 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.48 -72.79 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.67 169.51 10.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 113' ' ' GLY . 10.1 p -71.35 -42.34 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -53.26 -41.88 62.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.546 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -39.85 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -63.29 -38.55 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.82 -55.51 29.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -39.11 -60.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.412 HG13 ' CE1' ' A' ' 124' ' ' HIS . 54.2 t -45.6 -48.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.7 t -87.19 35.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -104.82 122.12 45.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.466 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 69.2 m -35.62 -74.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -138.59 136.54 36.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.412 ' CE1' HG13 ' A' ' 118' ' ' VAL . 61.1 m-70 -91.99 134.65 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.403 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 1.4 t -157.99 137.72 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.9 tp -99.6 77.97 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 47.51 54.51 10.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.16 -64.73 0.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -68.11 161.76 26.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -109.33 159.96 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.4 mt -132.65 172.62 12.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.03 90.95 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 17.0 t -100.22 129.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -135.5 147.37 61.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 136' ' ' ARG . 70.9 Cg_exo -45.66 115.01 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 135' ' ' PRO . 30.8 tpt85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.819 0.342 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 p -164.63 143.34 6.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 68' ' ' VAL . 9.8 m -131.96 128.14 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.48 108.09 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.29 131.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 p -155.2 164.42 38.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.95 19.32 51.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.465 ' HB2' HG21 ' A' ' 77' ' ' VAL . 8.8 p90 -80.82 152.11 71.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.484 ' HD2' HG21 ' A' ' 77' ' ' VAL . 71.3 Cg_exo -45.56 166.11 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -89.04 93.48 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.62 6.38 3.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.484 HG21 ' HD2' ' A' ' 74' ' ' PRO . 71.9 t -61.69 155.01 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.448 ' N ' HG12 ' A' ' 77' ' ' VAL . 35.8 t0 -116.32 163.3 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -64.55 -42.18 95.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.07 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -53.97 -57.93 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.2 mt -48.41 -64.06 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.518 ' HA ' HG21 ' A' ' 92' ' ' VAL . 2.2 m -42.79 -52.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 87' ' ' LEU . 7.8 tt0 -48.1 -58.26 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -55.67 -20.66 14.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.5 -15.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 91' ' ' PRO . 35.8 mt -70.16 -11.69 61.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.74 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -122.2 -19.6 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.4 160.67 21.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.559 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.6 Cg_endo -74.38 121.79 7.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.518 HG21 ' HA ' ' A' ' 83' ' ' SER . 73.2 t -80.57 116.63 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.6 m -167.1 161.83 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.3 t -124.04 115.06 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.86 114.57 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 56.2 mtp -107.99 141.17 40.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.76 138.17 58.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -98.46 -27.36 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.18 -58.99 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -118.03 -53.88 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.51 45.13 2.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.22 -2.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -149.49 160.0 43.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -151.91 132.41 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 mm -89.79 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 72.8 t -89.39 141.98 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -119.27 158.6 25.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 mmm -117.54 169.04 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.35 -56.14 3.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -119.36 162.57 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.352 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.4 p -57.52 -41.05 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.407 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -56.08 -35.23 63.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.499 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.725 ' HE ' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -53.07 -37.13 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -60.07 -50.85 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.85 -55.97 7.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.99 -53.65 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.725 HD11 ' HE ' ' A' ' 115' ' ' ARG . 21.2 mt -54.08 -43.98 70.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -89.75 45.34 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -113.37 154.48 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.1 p -66.15 -73.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -137.69 165.32 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -133.33 137.38 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 p -150.14 142.0 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.8 tp -110.14 82.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.7 58.61 9.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 99.34 -53.53 1.02 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -61.6 179.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -123.17 152.1 41.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.2 mt -130.46 137.68 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -108.43 82.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.39 124.11 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -141.09 145.07 37.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 127.15 9.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.226 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.828 0.347 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 t -124.24 156.24 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.49 148.26 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -90.26 121.53 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 133' ' ' VAL . 98.3 t -120.97 146.09 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.5 p -168.06 -179.61 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.89 29.65 58.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -92.93 147.47 34.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.705 0.764 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.92 177.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -91.66 113.07 25.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.12 -24.05 7.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -42.63 125.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 79' ' ' SER . 3.5 m-20 -107.63 141.81 38.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 78' ' ' ASP . 4.1 m -35.37 -52.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.87 -60.53 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.18 -54.89 25.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.82 -61.64 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -47.76 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.6 -47.94 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CG ' ' CD1' ' A' ' 126' ' ' LEU . 25.9 t80 -59.94 -27.89 67.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -84.9 -27.89 26.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 91' ' ' PRO . 31.2 mt -59.11 -13.03 5.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.15 -14.89 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -121.23 -35.28 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.7 166.2 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.467 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.4 Cg_endo -74.14 137.35 23.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.232 . . . . 0.0 112.337 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 108' ' ' GLU . 85.4 t -102.38 116.49 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.72 64.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -163.32 160.45 23.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.69 112.75 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.79 105.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.552 ' HG2' ' HB2' ' A' ' 105' ' ' ALA . 7.2 mtp -99.42 135.17 41.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.459 ' OD1' ' CZ ' ' A' ' 104' ' ' PHE . 9.1 t70 -56.84 150.03 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.25 -29.97 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -52.03 -53.69 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -129.69 -46.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.82 59.17 1.14 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.426 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.61 2.64 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 23.5 p90 -156.64 164.91 37.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' ' 97' ' ' MET . . . -161.19 139.71 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.2 mm -91.9 108.4 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.5 t -94.11 116.12 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.747 ' O ' HG13 ' A' ' 92' ' ' VAL . 27.0 tt0 -101.32 150.34 23.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.5 mtp -115.22 162.07 17.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.38 -80.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.62 178.72 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.08 -36.1 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.52 -44.48 90.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.41 91.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.076 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -61.36 -31.57 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.3 -56.87 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -40.5 -61.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.41 HG13 ' CE1' ' A' ' 124' ' ' HIS . 86.0 t -50.99 -48.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.81 -25.15 60.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 t -95.17 41.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.421 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 22.1 tm0? -113.85 140.58 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 m -60.93 -74.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.421 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 40.4 mt-30 -133.75 121.42 21.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.41 ' CE1' HG13 ' A' ' 118' ' ' VAL . 82.3 m-70 -81.2 134.11 35.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -154.21 131.98 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.562 ' CD1' ' CG ' ' A' ' 85' ' ' TYR . 14.2 tp -93.31 48.48 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.55 89.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 103.82 -52.15 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -105.3 160.39 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -102.88 160.65 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 77.1 mt -130.44 133.79 46.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -89.72 79.19 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 70' ' ' VAL . 53.3 t -93.88 128.81 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -152.01 150.67 26.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.68 128.28 10.63 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 p -159.11 157.43 31.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.43 HG23 ' HB ' ' A' ' 107' ' ' VAL . 6.7 m -150.82 129.49 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 71.2 t80 -86.9 110.11 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 133' ' ' VAL . 78.5 t -104.31 133.5 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 t -160.95 155.56 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 28.97 5.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -95.7 151.37 38.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.453 ' HB3' ' CE1' ' A' ' 129' ' ' HIS . 61.5 Cg_endo -75.95 154.47 38.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -63.26 133.74 54.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.94 -36.18 3.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -49.23 131.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -109.87 146.56 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.8 p -39.86 -45.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.01 63.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.57 -46.09 89.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.54 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.8 p -59.33 -57.76 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.74 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.8 tt0 -50.64 -46.62 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -63.43 -39.44 94.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.53 -23.54 56.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 84' ' ' GLU . 29.7 mt -64.87 -14.85 60.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.73 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.4 -26.46 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.407 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 177.83 161.65 26.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.527 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.5 Cg_endo -73.69 122.27 7.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.69 99.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.53 -48.34 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -166.74 156.51 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.467 HG12 ' HG2' ' A' ' 97' ' ' MET . 85.6 t -122.59 101.09 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.52 93.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.467 ' HG2' HG12 ' A' ' 95' ' ' VAL . 39.7 mmm -85.06 117.51 24.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -38.69 143.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -116.32 -19.02 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.08 -61.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -108.65 -56.71 2.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 49.81 1.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.97 0.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 14.8 p90 -148.67 159.29 44.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.49 136.44 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.691 HD12 ' HE ' ' A' ' 136' ' ' ARG . 4.9 mm -92.55 108.41 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.43 ' HB ' HG23 ' A' ' 68' ' ' VAL . 25.3 t -97.01 129.51 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -105.32 169.37 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.3 mmm -136.52 143.96 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.23 -72.61 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -106.05 174.04 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.4 p -67.38 -42.29 87.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.435 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -57.84 -35.58 75.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB1' ' HA3' ' A' ' 90' ' ' GLY . . . -59.78 -51.94 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -29.4 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.3 t -51.85 -49.08 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 135' ' ' PRO . 50.9 mt -59.33 -14.08 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.3 m -99.53 30.64 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.508 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 11.1 tp60 -113.79 108.91 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -39.26 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.555 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 2.0 pm0 -125.37 133.0 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 82.6 m-70 -92.84 157.52 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.5 p -169.29 128.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.431 ' HB2' HD11 ' A' ' 131' ' ' LEU . 15.8 tp -93.99 62.67 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.9 -41.44 2.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.31 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 74' ' ' PRO . 27.0 m-70 -82.32 162.87 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -105.56 126.65 52.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 126' ' ' LEU . 71.1 mt -102.3 146.93 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -108.28 82.87 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 70' ' ' VAL . 28.1 t -92.91 118.25 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -120.47 153.12 56.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.698 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.615 ' HB3' HD21 ' A' ' 119' ' ' LEU . 61.9 Cg_endo -76.26 105.94 2.17 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.691 ' HE ' HD12 ' A' ' 106' ' ' ILE . 3.7 mtt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 109' ' ' MET . 3.6 mtp-105 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.81 0.338 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 53.9 p -139.69 143.84 37.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.409 HG12 ' NH1' ' A' ' 115' ' ' ARG . 27.0 m -137.86 142.57 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -82.28 119.47 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -115.93 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.3 p -154.96 166.49 33.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.87 28.33 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.454 ' HB2' HG21 ' A' ' 77' ' ' VAL . 9.4 p90 -96.46 151.16 37.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.2 Cg_endo -75.44 130.59 12.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.339 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -39.46 136.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.48 -31.75 6.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 74' ' ' PRO . 85.5 t -49.83 132.8 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.114 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -111.27 151.73 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.3 p -45.76 -40.93 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.29 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -53.35 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.2 mt -53.5 -56.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.669 ' HA ' HG21 ' A' ' 92' ' ' VAL . 8.6 t -47.15 -59.25 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 87' ' ' LEU . 6.7 tt0 -46.57 -57.71 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.9 t80 -53.88 -28.56 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 107' ' ' VAL . 28.1 m-85 -81.5 -30.8 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 84' ' ' GLU . 98.3 mt -58.51 -24.85 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CD1' ' OE1' ' A' ' 121' ' ' GLN . 53.3 m-85 -119.58 -29.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.4 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 174.1 151.04 8.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.409 ' HA ' HD23 ' A' ' 87' ' ' LEU . 72.5 Cg_exo -46.51 153.22 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' A' ' 83' ' ' SER . 65.9 t -110.7 96.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.8 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -169.72 169.2 8.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.4 t -143.9 120.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.26 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.0 mtp -96.63 129.61 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -53.09 165.07 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' ASP . 20.1 tptm -124.6 -52.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 t0 -37.26 -47.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -123.98 -46.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.04 51.96 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 m -118.62 -26.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -123.42 159.81 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.29 142.51 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -93.81 117.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.486 HG21 ' CE2' ' A' ' 86' ' ' PHE . 55.1 t -102.27 147.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.8 157.31 40.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.442 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 15.1 mmm -117.82 145.51 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -46.68 -53.56 9.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.14 170.58 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 113' ' ' GLY . 5.5 p -60.47 -46.06 95.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.467 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -47.0 -52.52 11.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -45.2 -55.73 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.336 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 67' ' ' SER . 15.3 ttt85 -49.22 -51.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -47.64 -46.57 28.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.95 -62.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.2 t -45.35 -53.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.54 -31.96 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -91.19 29.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.419 ' OE1' ' CD1' ' A' ' 89' ' ' PHE . 6.8 tp60 -106.48 151.58 24.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.2 m -59.75 -74.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -128.67 169.23 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -129.16 150.14 50.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 7.9 t -173.78 146.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.0 tp -110.66 40.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.74 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.91 -55.18 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -116.86 177.75 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -110.64 172.89 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.48 150.21 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -113.21 51.59 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.51 143.14 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.32 145.37 7.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.37 149.76 2.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.813 0.339 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.2 t -138.33 156.75 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.91 149.35 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -91.11 118.19 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.57 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 78.2 t -112.78 127.61 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -151.08 165.28 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.78 33.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -90.7 143.74 29.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.99 158.44 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.301 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -72.84 127.56 32.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 106.98 -36.26 4.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 76' ' ' GLY . 80.7 t -35.04 125.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -104.48 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.5 p -60.78 -41.45 95.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.32 -58.72 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -55.24 -56.51 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.68 -56.53 7.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.1 t -54.53 -51.83 63.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.96 -42.92 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 125' ' ' SER . 19.7 t80 -69.95 -29.52 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 31.1 m-85 -81.62 -23.57 36.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 87' ' ' LEU . 21.0 mt -62.57 -24.34 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.81 65.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 78.6 m-85 -111.56 -37.1 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.05 166.59 38.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' HD23 ' A' ' 87' ' ' LEU . 59.4 Cg_endo -72.6 124.93 10.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 86' ' ' PHE . 76.0 t -85.64 107.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HB3' ' CB ' ' A' ' 108' ' ' GLU . . . -50.52 -45.63 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t -173.92 158.33 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.435 HG12 ' HG3' ' A' ' 97' ' ' MET . 98.2 t -122.85 99.45 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.3 t -88.48 100.34 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.435 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.1 mtp -95.35 136.85 35.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.32 156.07 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -111.29 -35.2 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -48.12 -60.41 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -125.21 -46.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.61 55.0 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.5 m -114.34 4.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -158.56 167.89 28.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.97 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.89 107.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 86' ' ' PHE . 53.1 t -91.73 117.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.5 ' CB ' ' HB3' ' A' ' 93' ' ' ALA . 71.8 mt-10 -94.58 161.83 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.0 mmm -125.49 152.99 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.07 -59.64 10.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -121.88 173.13 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 113' ' ' GLY . 8.0 p -67.41 -44.09 87.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.466 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -52.34 -36.63 46.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.1 93.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -68.31 -35.29 77.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -59.32 -36.57 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.95 -56.94 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 52.9 t -48.77 -47.45 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.09 -30.19 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -96.33 36.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -102.55 154.67 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m -61.98 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -140.04 122.1 15.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 73.4 m-70 -78.01 131.52 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.541 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 2.3 t -148.51 153.16 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.0 tp -113.17 32.68 5.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.02 -82.01 0.8 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.541 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.39 -44.08 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -109.09 172.94 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -106.16 174.37 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 55.0 mt -134.79 151.87 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -111.45 88.02 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 70' ' ' VAL . 51.9 t -99.92 132.3 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -136.23 150.49 71.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.92 131.25 13.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.7 tpt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.9 mtm-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.404 ' C ' ' HG3' ' A' ' 136' ' ' ARG . 72.3 m -157.16 168.66 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -150.7 134.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 33.1 t80 -76.93 112.22 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 67.7 t -110.78 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.1 t -130.78 156.28 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.411 ' O ' HD23 ' A' ' 131' ' ' LEU . . . 98.7 29.8 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -94.99 156.94 37.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.802 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.0 Cg_endo -75.47 147.71 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.29 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.3 mtm-85 -52.09 155.7 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 74' ' ' PRO . 76.3 t -43.39 135.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -123.09 150.82 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.4 p -45.15 -36.58 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.22 31.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -53.52 -55.66 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.4 mt -52.27 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.9 p -39.91 -52.49 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' A' ' 87' ' ' LEU . 3.6 tt0 -50.75 -50.56 55.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.32 -26.41 68.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.46 ' CE2' HG21 ' A' ' 107' ' ' VAL . 30.2 m-85 -88.15 -20.01 26.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 84' ' ' GLU . 32.8 mt -64.2 -17.72 63.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.09 -12.22 61.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.645 ' CZ ' ' NE2' ' A' ' 121' ' ' GLN . 53.8 m-85 -124.48 -15.74 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.76 160.49 12.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.524 ' HA ' HD23 ' A' ' 87' ' ' LEU . 59.8 Cg_endo -73.14 127.6 12.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.422 HG11 ' CG2' ' A' ' 95' ' ' VAL . 43.5 t -89.72 102.46 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.14 -53.64 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 t -162.2 158.51 24.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.422 ' CG2' HG11 ' A' ' 92' ' ' VAL . 67.4 t -126.11 103.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.26 100.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.9 ptp -108.27 136.34 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -51.92 131.98 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -91.45 -37.86 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -47.23 -49.66 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -131.98 -48.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.11 54.83 2.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.63 -9.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 13.9 p90 -151.53 157.42 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.02 143.83 27.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 136' ' ' ARG . 8.7 mm -104.21 105.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.46 HG21 ' CE2' ' A' ' 86' ' ' PHE . 22.0 t -92.38 122.35 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.21 138.19 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmm -99.23 154.0 18.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -65.05 -64.49 3.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.81 165.55 11.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 113' ' ' GLY . 6.3 p -61.48 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -50.81 -31.85 24.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.87 -48.78 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 24.3 ttt180 -62.85 -29.32 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.86 -48.38 71.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.21 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.24 -58.03 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.09 -23.05 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -99.17 28.89 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.645 ' NE2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 tt0 -100.13 148.74 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -61.46 -75.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -132.16 136.34 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 79.9 m-70 -97.39 124.27 41.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.9 p -154.02 121.93 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 tp -90.08 114.61 26.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.32 -98.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.52 32.32 3.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -128.47 -177.04 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -123.43 134.23 53.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 72' ' ' GLY . 65.0 mt -119.06 165.25 14.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -127.65 84.79 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.96 115.29 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -124.09 152.82 67.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.89 152.22 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.639 ' HD2' HG23 ' A' ' 106' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.812 0.339 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.4 m -125.87 161.91 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 115' ' ' ARG . 13.7 m -141.47 135.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 104' ' ' PHE . 30.0 t80 -79.42 113.92 17.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 107' ' ' VAL . 85.8 t -108.78 131.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.457 ' HB3' ' CE1' ' A' ' 69' ' ' PHE . 24.5 p -158.24 172.89 17.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.33 22.52 56.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.45 156.14 53.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.86 148.02 27.84 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.51 136.84 56.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.36 -26.57 10.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.19 125.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 0.0 111.111 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -101.25 -176.45 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -79.75 -7.54 58.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.11 -47.81 9.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.27 -43.0 92.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.6 mt -58.87 -52.01 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.0 p -56.12 -57.93 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.0 -45.41 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.775 ' CD2' HD13 ' A' ' 126' ' ' LEU . 5.9 t80 -64.97 -24.77 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -92.25 1.63 57.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.4 -15.08 53.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.27 -1.71 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -126.71 -36.37 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.41 ' HA3' ' CB ' ' A' ' 114' ' ' ALA . . . -174.03 172.75 45.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.55 126.85 9.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -88.83 118.9 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.72 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -168.18 156.63 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.17 101.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.25 100.85 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.4 ptm -116.68 136.54 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.63 142.69 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -105.13 -53.33 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -44.16 -50.05 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -108.81 -51.03 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.75 68.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.35 -28.81 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 14.3 p90 -132.73 156.37 47.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.11 124.6 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.3 mm -81.7 107.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 70' ' ' VAL . 42.7 t -91.01 106.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -92.29 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mmm -108.46 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -87.53 -59.52 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.09 165.39 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -68.44 -20.92 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.37 -43.55 45.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.41 ' CB ' ' HA3' ' A' ' 90' ' ' GLY . . . -52.36 -49.49 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.083 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.413 ' HG3' ' CG1' ' A' ' 68' ' ' VAL . 22.6 ttt180 -58.55 -50.09 75.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -52.76 -42.69 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.11 -49.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.1 -34.98 75.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -90.03 37.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.434 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 18.8 tm0? -106.76 148.64 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.7 m -66.81 -74.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.434 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 89.0 mt-30 -131.8 138.06 48.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -103.65 145.88 29.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.1 p -164.19 148.46 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.775 HD13 ' CD2' ' A' ' 85' ' ' TYR . 15.8 tp -127.11 90.94 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.75 95.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.42 -45.93 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -57.07 177.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -119.67 159.43 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' A' ' 126' ' ' LEU . 69.4 mt -137.69 148.71 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -114.87 74.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.3 t -78.24 135.2 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -151.05 144.02 16.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.61 143.75 5.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.86 0.362 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -151.04 174.03 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 107' ' ' VAL . 5.8 m -148.0 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -91.11 116.45 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 133' ' ' VAL . 93.6 t -116.38 131.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.7 p -159.27 166.87 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.06 21.53 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.05 154.77 47.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.6 170.79 19.24 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -75.87 130.03 37.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.06 -36.06 3.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 133.23 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -114.52 150.64 34.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.3 p -48.2 -31.25 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.79 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.28 -46.75 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.74 -55.28 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.9 p -49.56 -58.45 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -48.82 -38.29 21.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.721 ' CD2' HD13 ' A' ' 126' ' ' LEU . 15.0 t80 -76.47 -28.54 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.34 -11.34 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 84' ' ' GLU . 38.3 mt -75.1 -10.06 59.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.16 -7.2 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -126.67 -28.75 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.09 167.36 35.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.67 129.57 13.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.7 t -93.34 107.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.36 -47.99 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 m -173.46 158.69 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 107' ' ' VAL . 73.5 t -125.2 109.32 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.48 82.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.448 ' HG3' HG12 ' A' ' 95' ' ' VAL . 71.7 mtp -76.21 114.78 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.01 149.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -108.66 -30.32 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -55.25 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 103' ' ' VAL . 19.1 mmtt -126.2 3.5 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' LYS . . . 37.66 27.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 1.2 p -75.55 -8.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 104' ' ' PHE . 4.2 p90 -156.78 164.37 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.55 130.41 14.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.5 mm -82.42 107.73 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 95' ' ' VAL . 20.7 t -96.45 118.59 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.21 164.2 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.6 mmm -130.76 152.77 49.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -54.11 -79.96 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -111.15 168.79 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.58 -37.57 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.02 -39.36 68.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.66 -55.99 14.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 26.1 ttp180 -53.88 -38.77 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.57 -44.21 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.96 -54.91 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.32 -45.66 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 135' ' ' PRO . 94.0 mt -60.77 -30.54 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -97.78 50.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 3.5 tm0? -115.83 143.14 45.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -58.4 -72.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 6.8 tm0? -137.0 122.96 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -83.87 120.0 25.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 t -146.24 121.29 10.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 85' ' ' TYR . 17.1 tp -91.71 99.11 12.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.16 27.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.96 -39.74 2.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.23 115.16 6.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -67.08 143.73 56.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.68 133.45 38.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -95.02 90.0 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 70' ' ' VAL . 48.9 t -98.33 127.91 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -139.95 149.2 58.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . 0.408 ' HG3' HD22 ' A' ' 119' ' ' LEU . 71.2 Cg_exo -45.64 158.16 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -164.99 145.75 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.2 m -120.91 139.03 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 79.8 t80 -83.49 123.82 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.901 HG22 HG22 ' A' ' 133' ' ' VAL . 56.1 t -120.89 125.73 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.0 p -149.1 153.81 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 33.25 7.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -93.47 156.99 39.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.542 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.8 Cg_endo -76.64 144.04 24.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -50.66 156.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.87 -41.3 2.74 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 74' ' ' PRO . 95.3 t -44.74 120.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -106.29 148.32 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.0 p -39.28 -59.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.56 -53.41 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' LEU . 56.1 mt-30 -52.77 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD22 ' HE2' ' A' ' 86' ' ' PHE . 29.1 mt -37.02 -50.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 t -53.18 -61.63 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 87' ' ' LEU . 3.6 tt0 -46.43 -36.54 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -76.8 -29.4 56.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.455 ' HE2' HD22 ' A' ' 82' ' ' LEU . 41.9 m-85 -87.64 -1.77 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 84' ' ' GLU . 25.5 mt -78.34 -16.09 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.47 -18.57 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -115.1 -27.83 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.74 164.73 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -75.56 125.41 8.94 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.364 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.444 HG21 ' HB2' ' A' ' 86' ' ' PHE . 91.7 t -87.14 120.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.19 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -167.41 151.25 6.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.25 96.04 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.34 97.95 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.64 145.28 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.75 150.9 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -115.65 -42.17 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.38 -47.3 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -121.92 -54.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.72 64.81 1.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.31 -40.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.488 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 13.2 p90 -120.15 163.57 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -159.78 135.42 8.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.9 mm -87.8 112.98 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.6 t -100.04 98.13 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.48 150.35 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 53.0 mmm -114.35 167.78 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -69.04 -69.92 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -121.23 178.71 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.9 p -59.26 -42.32 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -53.25 -39.16 58.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.96 55.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.2 -38.65 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.85 -52.49 63.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.45 -46.92 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.53 -42.01 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -88.15 41.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.607 HE22 ' N ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -106.92 163.12 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.0 m -99.02 -74.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.476 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 51.7 mt-30 -130.55 109.17 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.607 ' N ' HE22 ' A' ' 121' ' ' GLN . 67.3 m-70 -71.63 154.62 41.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.4 p -169.9 120.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.8 tp -93.15 87.04 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.66 44.35 79.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.73 -39.18 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.27 163.54 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -110.31 148.52 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.98 156.75 48.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -120.66 88.99 3.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.901 HG22 HG22 ' A' ' 70' ' ' VAL . 43.6 t -101.77 136.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 157.07 32.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 108.4 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 p -110.34 156.92 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 68' ' ' VAL . 18.7 m -141.07 129.08 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 18.6 t80 -85.67 117.26 24.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 59.2 t -110.89 125.81 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 18.5 t -145.16 150.33 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.34 32.29 5.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -93.41 144.3 28.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.678 0.751 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.61 165.61 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -75.83 125.93 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 110.09 -37.96 3.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' GLY . 99.5 t -36.4 136.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -129.11 158.18 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.7 t -43.78 -42.42 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.64 -57.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -62.37 -57.47 11.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.9 mt -42.51 -52.42 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -51.93 -50.32 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.4 tt0 -56.33 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CG ' HD12 ' A' ' 126' ' ' LEU . 15.5 t80 -66.3 -22.86 66.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.452 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 30.8 m-85 -89.52 -23.57 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 91' ' ' PRO . 30.9 mt -62.04 -24.08 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 -18.78 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 121' ' ' GLN . 62.5 m-85 -116.09 -31.22 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.52 162.02 28.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.544 ' HA ' HD23 ' A' ' 87' ' ' LEU . 58.9 Cg_endo -72.07 137.11 28.42 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 108' ' ' GLU . 73.5 t -97.91 121.54 48.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB3' ' OE1' ' A' ' 108' ' ' GLU . . . -67.61 -49.64 62.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.5 m -163.59 159.36 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.7 120.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.4 t -104.76 102.43 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 32.2 mmm -87.14 129.92 34.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.454 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 36.8 t70 -45.55 116.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 10.55 18.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -93.94 -57.25 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -123.26 -67.59 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.72 2.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 98' ' ' ASP . 14.1 p90 -158.45 166.99 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.05 148.21 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.83 95.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 86' ' ' PHE . 37.8 t -76.6 136.63 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.516 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -114.17 134.43 54.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 51.9 mmm -102.82 128.92 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' MET . . . -35.84 -72.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.58 179.29 4.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.3 p -72.43 -47.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.513 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -46.75 -43.93 16.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.93 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . 0.443 ' NH1' HD11 ' A' ' 119' ' ' LEU . 36.2 ttp85 -65.66 -46.95 77.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.75 -45.26 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.61 -59.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -44.11 -52.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.443 HD11 ' NH1' ' A' ' 115' ' ' ARG . 28.9 mt -62.39 -27.43 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -98.8 41.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 tt0 -108.22 152.17 24.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m -65.63 -74.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 91.7 mt-30 -132.56 127.13 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -88.61 129.65 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 84.1 p -157.32 149.33 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.553 HD12 ' CG ' ' A' ' 85' ' ' TYR . 13.7 tp -105.69 -55.68 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.81 71.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.96 -38.65 3.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.499 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -108.75 172.82 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -108.95 148.42 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.06 115.51 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.86 80.01 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -80.72 129.22 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -141.38 153.82 66.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.33 108.11 2.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 m -106.61 155.57 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 107' ' ' VAL . 34.6 m -141.07 147.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -94.02 118.08 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 66.8 t -113.26 141.9 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.8 p -165.28 138.25 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.78 24.69 1.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -89.66 155.41 48.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.24 -179.67 5.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -83.36 148.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.44 27.38 48.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.7 t -97.67 134.4 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.8 m-20 -110.25 134.98 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 78' ' ' ASP . 77.3 p -35.66 -33.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . . . -60.1 -56.35 22.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -50.11 -51.63 41.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.54 -61.77 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.9 p -45.67 -57.57 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.2 tt0 -46.75 -41.67 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' A' ' 126' ' ' LEU . 28.2 t80 -71.99 -25.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 107' ' ' VAL . 33.4 m-85 -91.69 -2.82 56.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 84' ' ' GLU . 47.2 mt -84.47 -11.91 55.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.28 -6.53 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -124.9 -34.65 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.37 165.51 37.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.46 123.74 9.76 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 108' ' ' GLU . 63.1 t -89.06 109.05 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.63 -48.28 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -170.03 167.23 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.37 130.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.6 t -116.11 90.35 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.5 ptm -99.98 128.61 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -49.44 156.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -120.81 -42.27 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.89 -55.34 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -113.05 -54.16 2.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.76 68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 1.94 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -156.12 153.52 29.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.32 127.7 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.8 mm -88.3 103.77 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.611 ' O ' HG22 ' A' ' 68' ' ' VAL . 24.9 t -92.4 122.1 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 92' ' ' VAL . 50.8 tt0 -105.44 163.56 12.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -124.12 -176.7 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -88.26 -47.79 4.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.49 174.77 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.449 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 9.2 p -58.5 -35.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.03 89.29 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.71 -52.77 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -63.59 -26.38 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.61 -37.21 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.97 -50.04 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.34 -52.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.05 -35.5 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.8 t -91.64 42.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.49 138.73 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.7 m -47.41 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -140.04 125.23 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.424 ' CD2' ' HB ' ' A' ' 133' ' ' VAL . 62.1 m-70 -79.67 120.8 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.2 t -147.65 128.33 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 85' ' ' TYR . 22.4 tp -94.81 79.77 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 45.13 61.37 3.55 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.48 -53.68 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -72.31 167.42 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -125.91 127.69 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 39.9 mt -109.12 150.79 27.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -108.42 78.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 124' ' ' HIS . 32.5 t -80.31 120.72 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -126.98 155.98 74.91 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.697 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.67 114.29 3.82 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.337 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.4 p -115.42 153.55 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 107' ' ' VAL . 29.1 m -141.84 135.95 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -82.06 111.92 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.8 142.61 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.7 t -165.62 175.74 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.78 33.23 27.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -98.27 154.63 37.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.536 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.4 Cg_endo -75.56 130.86 13.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.276 . . . . 0.0 112.389 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -42.52 145.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.57 -31.61 8.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 74' ' ' PRO . 88.4 t -56.81 143.68 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -126.0 168.07 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.0 p -58.15 -41.48 83.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -66.35 -54.64 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.79 -56.43 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.6 p -48.44 -56.01 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.6 tt0 -54.72 -27.98 44.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -83.15 -26.07 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.11 -14.05 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 84' ' ' GLU . 30.3 mt -66.57 -32.37 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.19 -15.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -119.42 -38.19 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.13 160.49 32.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.54 ' HA ' HD23 ' A' ' 87' ' ' LEU . 58.9 Cg_endo -72.31 123.28 9.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.564 HG11 ' CG2' ' A' ' 95' ' ' VAL . 83.7 t -81.52 105.23 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB3' ' CB ' ' A' ' 108' ' ' GLU . . . -47.72 -45.35 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -170.72 156.88 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.564 ' CG2' HG11 ' A' ' 92' ' ' VAL . 84.1 t -129.66 97.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.11 105.69 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' A' ' 105' ' ' ALA . 23.9 mmm -88.32 132.62 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.556 ' OD2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 t70 -51.56 136.26 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -100.36 -44.09 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.65 -51.25 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -123.92 -52.33 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 41.93 4.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.52 -38.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CZ ' ' OD2' ' A' ' 98' ' ' ASP . 7.5 p90 -119.41 176.0 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.428 ' HB2' ' SD ' ' A' ' 97' ' ' MET . . . -160.26 144.93 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.03 114.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 68' ' ' VAL . 55.5 t -103.3 124.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 93' ' ' ALA . 72.0 mt-10 -104.03 172.03 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.421 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 25.4 mmm -133.43 161.58 34.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.95 -64.11 2.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.43 160.67 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.88 -30.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.72 96.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -58.15 -53.27 60.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -53.76 -46.92 71.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -57.43 -49.44 76.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.81 -63.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 73.6 t -44.96 -46.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.57 -41.22 98.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.2 t -87.27 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.588 ' NE2' ' H ' ' A' ' 122' ' ' SER . 0.0 OUTLIER -104.25 125.47 50.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.588 ' H ' ' NE2' ' A' ' 121' ' ' GLN . 1.8 m -42.76 -70.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.51 136.18 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 77.6 m-70 -100.13 132.34 45.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 98.4 p -160.32 136.35 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.13 39.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.8 66.57 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 140.72 -60.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -106.18 165.58 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -95.58 158.87 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.8 mt -129.85 165.03 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -129.6 73.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.6 127.92 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -141.74 153.07 64.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.56 135.95 20.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.6 p -64.63 174.37 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 t -48.41 126.83 12.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.44 93.56 1.53 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.2 m -156.04 114.61 3.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.857 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.9 t -79.69 136.91 36.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 163.13 -45.86 0.33 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 92.5 mt -116.83 105.09 11.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.77 0.319 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.7 mtm180 -94.01 41.35 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 m -142.34 166.59 24.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG23 ' HB ' ' A' ' 107' ' ' VAL . 34.1 m -144.73 149.88 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.084 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 19.8 t80 -99.31 115.67 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.6 t -113.44 130.48 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.0 t -157.21 173.49 16.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 89.98 14.32 59.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -79.45 156.82 75.67 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.08 -178.24 4.43 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.668 2.245 . . . . 0.0 112.333 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -81.56 130.03 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.88 -30.49 5.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.425 ' CG1' ' HG ' ' A' ' 82' ' ' LEU . 67.6 t -57.03 136.32 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.323 . . . . 0.0 111.165 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -118.98 172.86 7.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 62.8 p -66.85 -47.63 71.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.18 -51.11 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.101 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -56.0 -61.79 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.425 ' HG ' ' CG1' ' A' ' 77' ' ' VAL . 34.4 mt -42.04 -56.26 2.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 95' ' ' VAL . 4.0 m -48.62 -53.02 20.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -52.74 -41.97 64.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.86 -24.95 65.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -94.62 7.85 44.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.4 mt -90.26 -8.7 50.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.18 -7.02 52.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.077 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.33 -35.76 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.59 179.66 46.65 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.75 118.61 4.87 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.635 2.223 . . . . 0.0 112.355 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.699 HG13 ' O ' ' A' ' 108' ' ' GLU . 97.1 t -92.89 131.0 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.09 -54.11 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.6 m -174.93 169.9 3.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.486 HG23 ' OG ' ' A' ' 83' ' ' SER . 78.0 t -124.77 99.59 6.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 71.8 t -83.14 90.5 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 14.0 ptm -100.02 135.12 41.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -53.64 133.87 41.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -98.36 -38.9 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -51.45 -48.18 62.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -119.91 -55.44 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.76 72.79 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.494 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 104' ' ' PHE . 26.8 m -126.85 -46.48 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.798 0.332 . . . . 0.0 111.114 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 27.6 p90 -114.48 157.78 22.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -146.93 122.41 10.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 30.5 mm -80.87 103.15 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.126 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.512 ' HB ' HG23 ' A' ' 68' ' ' VAL . 58.3 t -84.55 112.73 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.699 ' O ' HG13 ' A' ' 92' ' ' VAL . 18.2 mt-10 -93.01 155.55 17.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.694 ' SD ' HG22 ' A' ' 92' ' ' VAL . 31.0 mmm -128.95 153.85 47.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.65 -73.63 0.5 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.515 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.54 159.53 15.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.2 p -53.54 -43.87 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.443 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -51.07 -47.2 49.69 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.427 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.91 -55.09 18.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.157 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -58.17 -31.22 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -73.28 -34.53 65.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.97 -27.01 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.059 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 86.5 t -78.53 -41.96 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.8 HD21 ' HB3' ' A' ' 135' ' ' PRO . 30.8 mt -61.75 -33.26 73.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.0 t -88.74 39.56 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.543 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 20.6 tm0? -110.88 144.43 39.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.0 m -64.49 -72.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.48 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 15.1 mp0 -135.02 143.96 47.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.543 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 98.3 m-70 -110.44 149.67 29.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 24.3 p -163.97 146.61 9.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' A' ' 131' ' ' LEU . 16.1 tp -118.33 73.88 0.93 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.46 43.73 18.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.507 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 102.76 -52.62 0.8 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.42 ' CD2' ' H ' ' A' ' 129' ' ' HIS . 16.6 m-70 -60.85 158.01 13.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.844 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -100.54 141.48 33.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 126' ' ' LEU . 68.6 mt -118.71 134.55 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -85.05 61.73 7.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 56.6 t -65.6 125.62 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -138.68 153.94 72.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.8 ' HB3' HD21 ' A' ' 119' ' ' LEU . 61.3 Cg_endo -76.56 47.59 2.15 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.688 2.259 . . . . 0.0 112.309 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 135' ' ' PRO . 11.9 ttp180 37.03 50.95 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.832 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -103.72 85.32 2.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 139' ' ' LYS . 15.1 tt0 -123.0 171.51 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 138' ' ' GLN . 1.7 mmmp? 38.1 50.08 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -80.93 117.86 21.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -77.21 126.95 31.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -113.11 143.37 44.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.7 p -170.29 153.36 4.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.733 0.777 . . . . 0.0 110.816 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.04 87.5 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.677 2.251 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -83.28 92.22 7.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.061 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 65.3 p -113.91 133.1 55.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 27.5 tttt -175.03 145.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 39.3 t -135.51 144.19 48.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.665 0.745 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -77.34 152.13 30.23 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.417 ' HD3' ' C ' ' A' ' 150' ' ' LYS . 0.0 OUTLIER -99.96 140.4 34.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.945 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -153.77 176.17 12.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.0 p -97.31 114.4 26.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.614 ' HA2' HD11 ' A' ' 65' ' ' LEU . . . -173.72 -49.1 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.449 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 73.1 m -43.53 -64.92 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.908 0.385 . . . . 0.0 110.861 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.1 p -82.06 144.22 30.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.11 121.5 1.68 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.614 HD11 ' HA2' ' A' ' 61' ' ' GLY . 6.5 mp -69.96 -26.71 64.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.922 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -130.2 87.22 2.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 p -171.88 146.58 2.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.841 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.0 m -148.49 134.83 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 31.1 t80 -83.08 100.16 10.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.3 t -97.97 116.83 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 94.2 p -143.59 170.66 15.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.09 24.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.9 p90 -98.43 147.68 33.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.723 . . . . 0.0 110.873 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.68 176.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.0 ttt-85 -91.27 117.14 29.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.03 -33.02 4.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.19 120.42 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.498 ' OD2' ' HB3' ' A' ' 80' ' ' ALA . 20.6 p-10 -102.9 154.0 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.9 p -43.07 -39.71 2.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.498 ' HB3' ' OD2' ' A' ' 78' ' ' ASP . . . -51.29 -61.65 2.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -49.87 -63.67 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 35.3 mt -40.47 -49.73 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 45.0 t -51.24 -59.14 4.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -54.75 -28.86 51.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -80.52 -24.71 39.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.942 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -93.57 -12.6 29.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.4 mt -70.84 -19.11 62.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.81 -10.61 59.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -124.62 -28.31 3.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.65 162.36 28.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.25 126.98 9.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.717 2.278 . . . . 0.0 112.318 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.9 t -89.56 108.43 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.82 -52.12 63.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -161.32 162.63 30.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 57.5 t -135.77 127.59 45.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 64.1 t -118.69 96.89 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.8 ptp -99.62 140.08 34.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -49.92 155.55 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.37 -4.64 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -93.77 -58.04 2.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -105.89 -40.16 5.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.93 54.66 6.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.522 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.4 m -125.5 12.36 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 111.153 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 15.7 p90 -165.61 157.36 14.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.877 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.12 140.03 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.5 mm -95.48 105.33 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 77.8 t -94.48 136.22 26.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.93 159.02 16.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.5 mmm -125.65 144.51 50.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -53.25 -74.84 0.26 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -100.42 160.7 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.2 p -55.02 -44.47 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.475 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -54.42 -50.85 55.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -42.51 -45.74 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -62.54 -36.28 82.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -60.62 -50.63 72.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.86 -58.2 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.418 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 35.7 t -49.58 -46.38 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 119' ' ' LEU . 23.2 mt -65.05 -33.48 76.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.4 t -98.87 43.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.07 144.51 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.8 m -50.88 -74.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -140.02 121.57 15.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.418 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 79.1 m-70 -80.48 119.8 23.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 59.5 p -147.84 136.33 21.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.5 ' HB2' HD11 ' A' ' 131' ' ' LEU . 12.3 tp -98.04 49.82 1.01 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.49 82.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.76 -61.36 0.34 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -98.66 176.36 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.829 0.347 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -109.47 168.77 9.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.5 HD11 ' HB2' ' A' ' 126' ' ' LEU . 88.0 mt -137.79 135.62 36.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 51.1 mtt-85 -99.58 97.03 8.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 37.7 t -107.12 117.69 53.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.175 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -131.74 144.49 53.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.561 0.696 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.59 135.78 12.63 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 47.1 ttt-85 -85.61 99.36 11.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.58 33.63 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -95.16 122.92 38.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.51 136.43 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -128.64 102.92 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.541 ' CD2' ' O ' ' A' ' 141' ' ' PHE . 35.8 p90 -54.99 105.6 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -109.88 142.66 40.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 39.6 t -117.48 92.8 41.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.685 0.755 . . . . 0.0 110.878 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.94 118.3 4.73 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.373 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -82.85 94.46 7.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 49.3 p -143.77 148.11 35.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.08 100.76 8.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.1 t -79.91 144.32 59.39 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.682 0.753 . . . . 0.0 110.864 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.1 130.4 11.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -114.52 121.68 44.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.924 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.5 m -103.68 84.31 2.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 31.0 m -101.2 148.18 25.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.825 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.58 53.25 3.59 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.506 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.4 p 37.9 39.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.381 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -78.51 122.87 26.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 94.81 94.11 1.67 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.784 HD23 ' H ' ' A' ' 65' ' ' LEU . 1.5 pt? -103.27 -34.51 8.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.841 0.353 . . . . 0.0 110.922 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 17.4 mtm105 -58.74 -21.51 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.4 p -81.16 155.23 26.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 7.3 m -135.49 155.81 37.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -97.76 117.04 31.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 133' ' ' VAL . 77.3 t -116.3 137.06 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.149 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.8 p -160.86 160.61 31.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.08 31.15 9.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -95.23 146.43 31.31 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.661 0.743 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.436 ' HB2' HG23 ' A' ' 77' ' ' VAL . 71.0 Cg_exo -45.56 143.72 5.73 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.326 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.28 124.09 20.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 111.42 -37.72 3.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.533 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' A' ' 74' ' ' PRO . 98.7 t -36.86 137.51 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 111.14 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -109.47 172.28 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.6 t -62.28 -46.44 88.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.3 27.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.067 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -65.49 -61.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 24.8 mt -46.6 -55.5 7.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 p -45.8 -59.34 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.808 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.536 ' HA ' HD12 ' A' ' 87' ' ' LEU . 6.2 tt0 -46.55 -58.96 3.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.14 -21.45 32.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -91.68 -11.39 37.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 84' ' ' GLU . 43.4 mt -78.34 -5.49 52.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.5 -9.84 59.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -122.3 -30.89 3.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.83 167.83 38.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.413 ' O ' ' N ' ' A' ' 110' ' ' GLY . 61.7 Cg_endo -76.65 125.44 8.22 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.705 2.27 . . . . 0.0 112.317 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.867 HG13 ' O ' ' A' ' 108' ' ' GLU . 55.6 t -88.84 119.88 36.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -167.39 169.44 12.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -134.3 115.95 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.9 t -101.74 121.15 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 52.3 mtp -115.13 132.53 56.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -55.03 125.33 20.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -89.9 -34.82 15.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -57.12 -54.83 42.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -112.85 -57.7 2.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.68 44.85 3.06 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.1 m -111.56 -36.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.104 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -111.9 161.95 15.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -155.1 134.91 12.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.489 HD12 ' CD ' ' A' ' 136' ' ' ARG . 31.1 mm -93.03 113.68 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 53.3 t -98.41 119.75 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.867 ' O ' HG13 ' A' ' 92' ' ' VAL . 31.0 tt0 -103.02 146.83 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -112.29 172.21 7.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 91' ' ' PRO . . . -74.35 -75.64 0.77 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -104.92 169.2 8.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.359 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.05 -25.6 36.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -68.48 -34.08 78.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.494 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.19 -46.23 88.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -61.86 -50.74 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -48.61 -51.78 26.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.57 -59.35 2.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 54.6 t -53.35 -49.15 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.35 -23.55 66.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.8 t -97.33 36.17 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.401 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 20.4 tm0? -109.34 148.85 30.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.3 m -69.36 -73.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.401 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 41.9 mt-30 -134.03 130.66 37.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -95.18 149.61 21.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.9 t -167.79 149.64 5.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.6 tp -119.43 58.62 0.87 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.951 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.62 92.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.477 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 82.77 -53.25 4.82 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.455 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -84.06 159.63 21.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.419 ' HG2' ' N ' ' A' ' 131' ' ' LEU . 23.2 ttm180 -116.92 147.65 42.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.419 ' N ' ' HG2' ' A' ' 130' ' ' ARG . 73.4 mt -114.03 144.81 42.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -109.82 86.06 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.585 HG22 HG22 ' A' ' 70' ' ' VAL . 60.0 t -94.9 135.08 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 31.2 ptt85 -148.72 152.38 37.47 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.65 126.47 8.86 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.489 ' CD ' HD12 ' A' ' 106' ' ' ILE . 3.4 tpm_? -51.4 -44.11 62.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -167.68 113.13 0.7 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -157.62 118.64 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.904 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 140' ' ' GLU . 8.0 mtpm? -112.06 102.57 10.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 139' ' ' LYS . 12.9 pt-20 34.48 40.07 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.849 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 93.6 t80 -120.44 124.81 46.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 7.5 tm0? -136.62 122.88 20.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 56.9 p -110.54 92.89 14.93 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.687 0.756 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.55 134.85 12.87 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -85.39 153.79 22.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 4.6 t -159.63 165.94 31.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -99.67 156.99 16.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 28.3 p -158.68 144.36 12.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.706 0.765 . . . . 0.0 110.832 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.19 -51.47 0.09 OUTLIER 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 151' ' ' GLY . 76.2 tttt -173.16 159.18 3.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.41 ' N ' ' HG2' ' A' ' 150' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -67.01 165.62 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.6 m -83.14 111.16 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -69.03 155.35 53.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.6 p -54.45 -59.99 3.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.0 p -127.53 137.85 52.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.827 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.53 140.69 3.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 65' ' ' LEU . 3.1 mp -95.45 105.23 17.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.833 0.349 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' HA ' ' CZ ' ' A' ' 115' ' ' ARG . 29.7 mtt180 43.18 49.01 5.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.7 p -127.39 169.54 13.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.4 m -150.25 137.97 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.16 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 88.7 t80 -85.87 106.82 17.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 73.5 t -99.46 124.68 52.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.1 m -151.36 156.04 39.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 96.07 32.36 6.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.453 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -98.91 156.54 35.41 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.621 0.725 . . . . 0.0 110.909 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.01 162.99 31.44 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.726 2.284 . . . . 0.0 112.368 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -70.18 146.35 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.97 -35.05 5.31 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.474 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 42.0 t -56.88 142.69 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.87 0.367 . . . . 0.0 111.075 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -127.12 171.85 11.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.841 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.1 p -56.54 -38.88 72.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.87 76.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.3 -56.76 17.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 44.9 mt -48.86 -50.49 34.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -50.28 -61.78 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.431 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.5 tt0 -52.4 -26.45 12.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -81.13 -26.79 35.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -96.4 -10.9 26.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 84' ' ' GLU . 22.3 mt -67.61 -19.67 65.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.55 -19.89 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.504 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 23.3 m-85 -113.08 -22.62 10.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.05 160.4 22.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.435 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.4 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -76.0 127.3 9.91 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.709 2.272 . . . . 0.0 112.362 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 71.6 t -86.9 121.87 38.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.99 -48.14 46.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 m -156.22 168.17 28.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -145.37 117.32 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.078 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.7 t -114.22 95.88 4.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.3 ptp -100.71 151.11 22.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -66.94 140.37 57.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.5 pttm -109.92 -15.36 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -74.51 -45.85 43.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 49.6 mmtt -130.11 -48.93 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.39 60.2 1.4 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.413 HG23 ' HD2' ' A' ' 104' ' ' PHE . 23.8 m -121.21 8.41 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.527 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 39.0 p90 -169.11 158.13 8.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.3 136.47 11.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.8 mm -91.51 109.89 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 46.1 t -101.68 125.15 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -109.87 160.39 16.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.484 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 12.8 mmm -116.85 172.24 7.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -81.43 -39.39 12.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.461 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -133.56 169.33 17.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 113' ' ' GLY . 14.4 p -61.66 -41.69 91.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -51.92 -46.7 55.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.484 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -57.62 -57.34 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 66' ' ' ARG . 2.1 tmm_? -49.68 -27.23 4.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -79.58 -44.94 20.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.58 -60.82 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 49.4 t -49.87 -46.91 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.143 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.02 -32.75 74.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.5 t -98.11 47.1 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.504 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 1.3 tm0? -106.14 133.26 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 93.5 p -45.68 -73.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.447 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 68.0 mt-30 -137.43 124.95 22.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -85.51 129.94 34.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 t -154.35 140.81 18.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.511 ' HB2' HD11 ' A' ' 131' ' ' LEU . 29.2 tp -115.3 85.71 2.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.44 49.9 62.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.501 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.29 -52.33 1.22 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.469 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -64.36 140.06 58.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 44.5 mtm-85 -90.23 145.05 25.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 126' ' ' LEU . 56.6 mt -116.48 158.95 22.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 28.6 mtt180 -116.39 96.27 5.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 13.5 t -108.95 144.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -155.46 150.89 21.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.66 136.94 12.32 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.294 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -48.92 -44.3 40.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -142.13 123.18 14.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 139' ' ' LYS . 49.1 mt-30 -70.93 86.56 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 138' ' ' GLN . 23.9 ttpt -36.09 146.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -115.58 -42.59 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.9 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -91.0 110.89 22.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.889 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -146.23 151.6 37.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 13.0 t -133.27 144.16 51.29 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.64 0.733 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 145' ' ' ALA . 61.8 Cg_endo -77.32 40.5 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 144' ' ' PRO . . . -34.21 -49.47 0.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.103 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.4 t -117.41 168.15 10.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -121.07 -57.14 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.1 m -126.49 144.15 48.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.649 0.738 . . . . 0.0 110.858 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.57 -52.18 7.1 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.683 2.255 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -132.1 169.99 15.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.918 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.449 179.89 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.9 t -91.79 97.25 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.0 p -137.67 177.85 7.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 158.37 -179.82 33.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.3 m -141.19 165.85 26.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 25.5 m -68.78 115.91 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 65' ' ' LEU . . . -157.46 -112.35 0.35 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.499 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 65' ' ' LEU . 2.2 pt? -35.72 145.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -129.37 38.34 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.1 m -130.2 130.02 44.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 149.16 15.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -91.57 117.4 29.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.499 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 59.7 t -113.24 143.19 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.5 p -169.03 156.9 7.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 106.59 18.92 10.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.8 p90 -90.22 144.03 30.49 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.54 172.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -84.91 119.81 25.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 114.59 -35.68 4.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 76' ' ' GLY . 94.4 t -36.16 130.93 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.361 . . . . 0.0 111.13 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -108.17 160.49 15.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 80' ' ' ALA . 38.2 m -51.57 -53.54 37.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 79' ' ' SER . . . -34.06 -55.39 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.073 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -60.59 -46.54 89.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.73 -60.83 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.0 p -41.75 -52.32 3.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.3 tt0 -54.95 -49.96 70.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.559 ' CG ' HD13 ' A' ' 126' ' ' LEU . 35.9 t80 -60.21 -36.87 78.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.499 ' CE2' HG21 ' A' ' 107' ' ' VAL . 28.3 m-85 -74.49 -32.3 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 91' ' ' PRO . 32.8 mt -55.13 -37.13 66.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -49.09 -25.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.05 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -106.44 -40.7 5.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.41 155.03 19.3 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.464 ' HA ' HD23 ' A' ' 87' ' ' LEU . 71.3 Cg_exo -45.76 155.1 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.345 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 91.7 t -122.31 88.69 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -38.09 -49.08 1.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 m -171.99 163.56 6.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.418 HG12 ' HG2' ' A' ' 97' ' ' MET . 91.8 t -129.68 102.54 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.114 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.4 t -88.37 93.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.418 ' HG2' HG12 ' A' ' 95' ' ' VAL . 39.2 mmm -82.74 141.34 32.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.92 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' CG ' ' CE1' ' A' ' 104' ' ' PHE . 23.0 t0 -63.1 149.37 45.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -114.54 -44.51 3.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -57.23 -64.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -91.06 -57.34 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.09 41.85 6.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.477 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.1 m -119.55 -16.17 7.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.435 ' CE1' ' CG ' ' A' ' 98' ' ' ASP . 15.6 p90 -132.07 176.27 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.411 ' HB2' ' SD ' ' A' ' 97' ' ' MET . . . -168.68 134.94 1.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -87.0 112.31 22.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.499 HG21 ' CE2' ' A' ' 86' ' ' PHE . 92.4 t -102.45 119.37 50.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -97.51 151.64 19.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.7 mmm -116.5 149.5 39.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -43.7 -77.71 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.62 179.56 3.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.41 HG13 ' N ' ' A' ' 113' ' ' GLY . 8.2 p -61.67 -40.18 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -52.45 -45.68 58.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.39 -56.61 19.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.524 ' HE ' HD11 ' A' ' 119' ' ' LEU . 22.5 ttt180 -52.92 -39.06 62.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -55.64 -50.07 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.16 -64.21 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 94.2 t -44.47 -47.27 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.524 HD11 ' HE ' ' A' ' 115' ' ' ARG . 46.2 mt -62.96 -38.23 90.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.4 m -96.33 42.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.703 ' NE2' ' H ' ' A' ' 122' ' ' SER . 0.0 OUTLIER -111.29 135.66 51.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.703 ' H ' ' NE2' ' A' ' 121' ' ' GLN . 27.3 p -45.16 -74.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.596 ' H ' ' HG ' ' A' ' 122' ' ' SER . 12.7 mm100 -136.7 149.48 47.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.43 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 77.8 m-70 -109.79 125.68 52.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.799 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 88.3 p -153.12 126.68 8.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.559 HD13 ' CG ' ' A' ' 85' ' ' TYR . 62.9 tp -87.62 84.54 7.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.951 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.92 39.31 78.05 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 119.24 -53.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.464 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -53.42 167.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.6 tpp85 -115.79 127.27 54.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 82.6 mt -114.83 134.99 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -99.7 84.04 2.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -88.04 131.33 35.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -146.86 143.94 19.31 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.597 0.713 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.57 149.41 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.4 ttt85 -91.66 105.6 17.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 82.0 mm-40 -92.61 173.22 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -132.22 -178.99 5.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 139.69 52.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 141' ' ' PHE . 6.1 pt-20 -121.14 43.23 2.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.409 ' C ' ' O ' ' A' ' 140' ' ' GLU . 14.0 m-85 -37.34 -49.54 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -174.16 171.04 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.8 m -168.69 144.18 2.84 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.664 0.745 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.44 140.4 8.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -77.73 168.65 19.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.132 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 48.4 p -67.09 128.89 38.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt 45.66 49.64 11.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 3.1 m -42.73 155.62 0.26 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.813 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.04 155.78 33.83 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.09 153.47 34.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 86.8 p -56.2 147.31 20.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.935 0.398 . . . . 0.0 110.815 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -57.62 135.15 56.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.33 -65.03 2.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.3 m -119.77 93.09 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 61.6 m -72.91 111.39 7.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.52 59.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.795 HD23 ' H ' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -104.57 118.12 35.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.812 0.339 . . . . 0.0 110.899 -179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 66' ' ' ARG . 26.0 mtm105 -96.44 31.63 2.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -126.02 136.1 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 107' ' ' VAL . 15.7 m -125.18 139.43 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 51.5 t80 -82.33 109.2 16.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -111.66 137.49 44.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 96.0 p -162.31 178.61 8.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.15 35.43 49.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.449 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 8.6 p90 -99.67 151.26 37.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.723 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.68 172.15 0.02 OUTLIER 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.317 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' CB ' HH11 ' A' ' 75' ' ' ARG . 5.4 ttp-105 -91.37 113.76 26.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 122.64 -21.12 7.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 71.6 t -49.01 136.0 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.823 0.345 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -113.17 147.72 36.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 54.0 m -43.01 -36.61 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.46 96.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -61.68 -51.51 68.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.918 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.89 -54.25 31.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.409 ' HA ' HG21 ' A' ' 92' ' ' VAL . 58.7 p -46.84 -53.92 11.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.608 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -49.68 -46.71 50.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -70.36 -25.06 63.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -90.16 -8.49 51.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 84' ' ' GLU . 32.4 mt -76.98 -12.33 59.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.62 -14.16 60.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.04 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' CE1' ' OE1' ' A' ' 121' ' ' GLN . 44.1 m-85 -122.56 -21.19 5.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.9 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.542 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 172.21 161.81 23.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.544 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.4 Cg_endo -76.22 121.16 5.97 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.409 HG21 ' HA ' ' A' ' 83' ' ' SER . 98.8 t -77.07 109.41 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.28 -49.67 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.9 m -165.84 163.63 18.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.86 129.95 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 89.4 t -124.94 102.59 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -103.47 148.37 26.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -58.61 127.51 32.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.8 ptpt -90.03 -1.02 57.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.11 -58.7 2.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -121.36 -28.77 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 72.59 53.25 8.67 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.5 m -101.75 -38.47 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 30.7 p90 -123.37 156.58 35.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -150.85 143.82 24.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.9 mm -97.82 104.36 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.596 ' O ' HG22 ' A' ' 68' ' ' VAL . 97.6 t -95.92 115.17 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.088 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -88.76 172.68 9.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.6 mmm -136.14 153.15 51.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.01 -73.85 0.46 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.18 162.18 13.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 14.7 p -59.49 -34.42 54.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.22 -48.15 76.69 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.542 ' HB1' ' HA3' ' A' ' 90' ' ' GLY . . . -53.63 -48.46 69.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.422 ' CD ' ' O ' ' A' ' 65' ' ' LEU . 67.8 ttp85 -59.62 -43.18 93.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.75 -38.05 86.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.19 -53.94 52.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -53.45 -53.06 26.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.58 -34.07 72.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 m -88.21 28.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.558 ' OE1' ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp60 -101.64 145.94 28.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.8 m -61.61 -73.35 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -134.9 147.81 49.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 95.4 m-70 -113.04 140.19 48.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 65.0 p -156.11 137.52 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.839 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 18.3 tp -102.21 72.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 88.86 -53.79 4.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.452 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -150.78 -41.59 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -75.12 169.53 17.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.752 0.31 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.2 ttp180 -108.88 133.86 52.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.6 mt -100.31 154.5 18.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.4 mmm180 -110.81 99.83 8.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.6 t -108.89 130.37 61.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -150.3 152.55 33.48 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.642 0.734 . . . . 0.0 110.818 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.64 139.54 10.1 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.703 2.269 . . . . 0.0 112.338 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -94.99 128.58 41.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -79.33 101.79 8.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -71.92 78.76 0.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -88.2 134.57 33.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -155.76 173.05 17.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 7.1 p90 -134.05 109.69 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -131.23 178.61 6.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.2 t -133.03 86.7 41.95 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.685 0.755 . . . . 0.0 110.907 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.69 136.17 12.81 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.709 2.273 . . . . 0.0 112.343 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -167.11 137.25 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 62.0 m -119.79 171.29 8.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -137.36 112.48 9.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.0 t -113.43 143.83 30.11 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.65 0.738 . . . . 0.0 110.814 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.78 171.42 0.03 OUTLIER 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 35.2 tttp -57.43 -54.84 42.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.539 179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -70.53 114.26 8.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 25.9 p -117.87 100.51 7.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.827 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -149.67 81.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.0 m -65.34 -58.85 4.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.2 m -74.67 143.22 44.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.24 -153.97 6.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mp -104.59 71.42 0.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -103.4 48.15 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 72.2 m -128.26 178.0 6.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.5 m -153.09 142.4 14.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.405 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 51.5 t80 -80.39 125.26 29.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.2 t -127.27 123.87 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 t -151.89 -177.87 6.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.17 33.94 61.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.527 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -98.44 156.67 35.47 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.65 0.738 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.599 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.7 Cg_endo -76.71 138.91 19.52 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.65 157.12 0.26 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.48 -30.68 6.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.525 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 74' ' ' PRO . 59.3 t -63.64 130.52 28.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.823 0.344 . . . . 0.0 111.148 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -117.22 160.05 21.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.6 m -43.47 -51.02 6.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -45.81 -64.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.088 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -46.29 -47.69 18.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.0 mt -55.87 -61.43 2.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.3 p -43.27 -57.08 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.2 tt0 -51.36 -41.14 60.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -71.09 -26.3 62.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.963 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' A' ' 107' ' ' VAL . 10.5 m-85 -91.3 -15.86 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 84' ' ' GLU . 28.3 mt -65.24 -21.61 66.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.47 -15.69 63.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -117.49 -32.54 4.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -176.73 162.14 30.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.485 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -75.12 134.3 17.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.698 2.265 . . . . 0.0 112.394 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.69 HG13 ' O ' ' A' ' 108' ' ' GLU . 69.3 t -97.27 121.1 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.103 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.517 ' HB3' ' HG2' ' A' ' 108' ' ' GLU . . . -67.22 -46.71 73.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.5 m -165.95 154.72 11.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.4 t -124.19 118.62 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.5 t -100.35 107.24 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.459 ' HG2' ' CB ' ' A' ' 105' ' ' ALA . 33.8 mtp -105.73 124.16 49.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -48.55 129.26 16.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -100.91 -34.94 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -57.24 -46.48 82.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -118.87 -57.66 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.63 60.64 1.14 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.426 HG23 ' N ' ' A' ' 104' ' ' PHE . 19.2 m -124.27 -42.72 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.838 0.352 . . . . 0.0 111.094 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.426 ' N ' HG23 ' A' ' 103' ' ' VAL . 11.3 p90 -116.04 164.45 14.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 97' ' ' MET . . . -154.85 130.31 9.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.088 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.7 mm -85.86 113.12 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' A' ' 86' ' ' PHE . 35.1 t -97.34 115.27 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.69 ' O ' HG13 ' A' ' 92' ' ' VAL . 27.0 tt0 -93.64 150.97 19.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.465 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 50.8 mmm -115.66 161.34 18.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -62.81 -80.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -111.39 174.9 5.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.93 -40.77 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.06 -44.58 83.4 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -53.59 -61.14 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.134 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 33.0 ttt180 -50.09 -46.5 53.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -53.5 -52.75 58.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.33 -51.93 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 80.4 t -65.23 -38.84 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.99 -16.2 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.8 t -98.95 30.05 3.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.466 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 10.4 tp60 -113.2 107.2 15.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.5 p -40.8 -73.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -120.62 142.69 49.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.466 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 84.6 m-70 -106.67 144.23 33.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 58.4 p -156.29 137.95 14.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 127' ' ' GLY . 40.4 tp -112.53 103.5 11.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 126' ' ' LEU . . . 36.0 57.21 1.07 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.471 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.89 -49.42 1.08 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.449 ' CG ' ' HG3' ' A' ' 74' ' ' PRO . 28.6 m-70 -60.4 176.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -135.5 121.65 20.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 17.4 mt -103.31 157.82 16.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -116.14 81.4 1.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.85 137.87 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -163.89 147.89 8.33 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.589 0.709 . . . . 0.0 110.864 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -45.6 121.89 4.4 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.714 2.276 . . . . 0.0 112.355 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -62.18 -23.28 66.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -159.3 128.03 5.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 138' ' ' GLN . 1.7 pm0 -121.84 138.3 54.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.932 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -98.97 100.14 11.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -82.87 79.65 9.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -170.44 156.75 5.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -145.39 157.26 44.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.5 t -128.0 80.71 71.71 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.648 0.737 . . . . 0.0 110.803 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.6 94.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.665 2.243 . . . . 0.0 112.33 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -137.17 177.32 7.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 32.5 p -129.04 91.26 3.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -90.32 135.41 33.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 78.9 p -163.0 144.62 7.76 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.869 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -45.75 126.94 9.53 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.712 2.275 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.09 173.55 11.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 89.9 p -114.21 175.69 5.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.86 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -126.56 162.46 25.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.08 -120.84 4.69 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.1 t 53.08 41.87 32.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.6 t -67.12 178.64 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.06 135.37 15.35 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.3 mt -127.71 64.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 72.9 mtt180 47.96 42.27 16.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -128.31 165.42 20.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 14.4 m -144.83 153.51 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -95.94 114.73 26.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.1 t -112.45 144.17 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.153 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.3 p -173.17 178.25 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.88 25.46 55.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -88.04 157.61 50.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.98 129.51 10.66 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -43.68 121.68 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 127.18 -10.79 6.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.6 t -73.38 134.29 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.329 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 81' ' ' GLN . 0.8 OUTLIER -116.57 141.9 47.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 59.8 p -36.96 -34.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.47 -49.53 77.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.138 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 78' ' ' ASP . 60.9 mt-30 -61.45 -48.78 79.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -55.26 -59.17 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -44.98 -52.13 9.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -59.72 -46.49 88.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.403 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.1 t80 -61.12 -23.17 65.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.446 ' CE2' HG21 ' A' ' 107' ' ' VAL . 29.1 m-85 -93.0 -23.69 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 87' ' ' LEU . 19.9 mt -62.65 -15.39 51.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.12 -24.09 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -111.46 -26.14 9.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 176.48 166.06 33.08 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.12 134.83 19.99 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.637 2.225 . . . . 0.0 112.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 73.4 t -96.23 112.42 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.22 -50.3 67.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -167.85 162.38 13.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.4 t -128.83 120.64 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -109.69 110.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.173 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 35.3 mtp -101.39 132.96 46.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' CG ' ' CE2' ' A' ' 104' ' ' PHE . 9.6 t70 -57.46 171.32 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -128.13 -40.85 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -45.34 -51.35 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -125.5 -37.58 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 75.94 47.3 11.74 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.9 m -120.69 11.83 6.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 111.114 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.434 ' CE2' ' CG ' ' A' ' 98' ' ' ASP . 25.8 p90 -159.24 155.81 27.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -154.94 144.04 21.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.096 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 28.1 mm -93.51 108.72 20.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.446 HG21 ' CE2' ' A' ' 86' ' ' PHE . 51.6 t -93.57 131.86 39.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -111.88 173.34 6.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 10.5 mtp -141.84 152.13 43.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.48 -72.79 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -92.67 169.51 10.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 113' ' ' GLY . 10.1 p -71.35 -42.34 73.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -53.26 -41.88 62.56 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.546 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -52.87 -39.85 62.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -63.29 -38.55 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.82 -55.51 29.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -39.11 -60.5 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.412 HG13 ' CE1' ' A' ' 124' ' ' HIS . 54.2 t -45.6 -48.64 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.0 mt -64.43 -40.51 95.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.7 t -87.19 35.77 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -104.82 122.12 45.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.466 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 69.2 m -35.62 -74.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -138.59 136.54 36.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.412 ' CE1' HG13 ' A' ' 118' ' ' VAL . 61.1 m-70 -91.99 134.65 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.403 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 1.4 t -157.99 137.72 12.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.9 tp -99.6 77.97 2.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 47.51 54.51 10.6 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 120.16 -64.73 0.45 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -68.11 161.76 26.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.4 ptp180 -109.33 159.96 16.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.4 mt -132.65 172.62 12.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -133.03 90.95 2.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 17.0 t -100.22 129.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.1 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.407 ' HD3' ' C ' ' A' ' 134' ' ' ARG . 0.7 OUTLIER -135.5 147.37 61.5 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.712 . . . . 0.0 110.883 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 136' ' ' ARG . 70.9 Cg_exo -45.66 115.01 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.7 2.266 . . . . 0.0 112.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 135' ' ' PRO . 30.8 tpt85 -36.59 -61.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -48.61 136.59 13.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.437 ' HG2' ' N ' ' A' ' 139' ' ' LYS . 2.4 pm0 -76.53 -29.78 56.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.437 ' N ' ' HG2' ' A' ' 138' ' ' GLN . 18.4 pttt -174.27 173.82 2.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.61 134.75 49.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -59.58 163.92 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -51.73 9.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 60.0 p -148.56 144.21 18.22 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.644 0.735 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.71 125.36 7.44 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.621 2.214 . . . . 0.0 112.346 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -66.92 -51.08 59.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.116 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 97.3 p -170.51 138.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 102.27 11.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 69.3 m -134.48 144.22 50.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.669 0.747 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.47 -12.1 17.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -134.0 114.63 13.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.456 179.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.2 t -41.27 142.48 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.844 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.9 m -64.48 126.47 27.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -109.94 155.2 16.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.8 m -72.89 167.27 21.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.849 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.5 t -101.06 -48.11 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.66 76.4 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.8 mt -63.3 124.09 20.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.81 0.338 . . . . 0.0 110.907 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.4 mtm180 -61.64 97.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.8 p -164.63 143.34 6.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 68' ' ' VAL . 9.8 m -131.96 128.14 59.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -81.48 108.09 14.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 89.3 t -104.29 131.06 54.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.5 p -155.2 164.42 38.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.95 19.32 51.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.465 ' HB2' HG21 ' A' ' 77' ' ' VAL . 8.8 p90 -80.82 152.11 71.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.484 ' HD2' HG21 ' A' ' 77' ' ' VAL . 71.3 Cg_exo -45.56 166.11 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.663 2.242 . . . . 0.0 112.386 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -89.04 93.48 9.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 131.62 6.38 3.35 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.484 HG21 ' HD2' ' A' ' 74' ' ' PRO . 71.9 t -61.69 155.01 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.838 0.352 . . . . 0.0 111.085 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.448 ' N ' HG12 ' A' ' 77' ' ' VAL . 35.8 t0 -116.32 163.3 16.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -64.55 -42.18 95.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.27 -49.07 79.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.078 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -53.97 -57.93 9.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.2 mt -48.41 -64.06 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.518 ' HA ' HG21 ' A' ' 92' ' ' VAL . 2.2 m -42.79 -52.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 87' ' ' LEU . 7.8 tt0 -48.1 -58.26 4.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.859 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -55.67 -20.66 14.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -93.5 -15.64 25.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD23 ' HA ' ' A' ' 91' ' ' PRO . 35.8 mt -70.16 -11.69 61.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.72 -14.74 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -122.2 -19.6 6.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 172.4 160.67 21.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.559 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.6 Cg_endo -74.38 121.79 7.04 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.518 HG21 ' HA ' ' A' ' 83' ' ' SER . 73.2 t -80.57 116.63 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.6 m -167.1 161.83 14.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.3 t -124.04 115.06 43.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.86 114.57 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 56.2 mtp -107.99 141.17 40.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.76 138.17 58.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -98.46 -27.36 14.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.18 -58.99 6.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.842 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.8 mtmm -118.03 -53.88 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.51 45.13 2.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 m -111.22 -2.09 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 111.094 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -149.49 160.0 43.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -151.91 132.41 13.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 mm -89.79 101.6 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 72.8 t -89.39 141.98 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 55.4 tt0 -119.27 158.6 25.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 mmm -117.54 169.04 9.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -80.35 -56.14 3.28 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -119.36 162.57 18.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.838 0.352 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.4 p -57.52 -41.05 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.407 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -56.08 -35.23 63.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.499 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.9 -63.95 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.328 . . . . 0.0 111.043 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.725 ' HE ' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -53.07 -37.13 61.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -60.07 -50.85 72.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.85 -55.97 7.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 93.6 t -50.99 -53.65 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.725 HD11 ' HE ' ' A' ' 115' ' ' ARG . 21.2 mt -54.08 -43.98 70.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -89.75 45.34 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -113.37 154.48 26.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.1 p -66.15 -73.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -137.69 165.32 26.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -133.33 137.38 45.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 p -150.14 142.0 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 33.8 tp -110.14 82.93 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 51.7 58.61 9.89 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 99.34 -53.53 1.02 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.542 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -61.6 179.15 0.26 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.749 0.309 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -123.17 152.1 41.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.2 mt -130.46 137.68 49.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -108.43 82.56 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.39 124.11 40.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -141.09 145.07 37.37 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.73 127.15 9.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.638 2.226 . . . . 0.0 112.333 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -47.19 -53.33 13.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 91.5 3.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -92.29 -43.5 9.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 140' ' ' GLU . 1.1 tmtp? -43.64 128.82 5.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.468 ' N ' ' HD3' ' A' ' 139' ' ' LYS . 10.5 pt-20 -174.98 115.26 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -45.73 -42.44 11.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -143.15 149.36 37.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.2 t -118.78 144.21 35.14 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.673 0.749 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.54 93.23 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -78.93 95.23 5.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.106 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 75.7 p -159.77 176.08 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -156.8 154.23 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 42.0 t -155.68 143.65 14.26 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -77.85 104.17 1.82 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.689 2.259 . . . . 0.0 112.322 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.5 tptm 48.5 43.86 20.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.4 m -126.88 103.45 7.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.827 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 57.2 m -52.37 122.77 9.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 62' ' ' SER . . . 176.28 50.57 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.521 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 61' ' ' GLY . 1.6 t -34.64 -55.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.833 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 11.2 t -51.02 -53.65 31.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.77 108.98 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.506 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.472 HD12 ' H ' ' A' ' 65' ' ' LEU . 5.6 mp -67.69 169.78 8.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.351 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -84.66 32.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.6 t -124.24 156.24 37.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.49 148.26 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -90.26 121.53 32.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 133' ' ' VAL . 98.3 t -120.97 146.09 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.5 p -168.06 -179.61 4.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.89 29.65 58.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -92.93 147.47 34.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.705 0.764 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.92 177.02 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -91.66 113.07 25.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.12 -24.05 7.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.438 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.2 t -42.63 125.0 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 79' ' ' SER . 3.5 m-20 -107.63 141.81 38.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 78' ' ' ASP . 4.1 m -35.37 -52.34 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.87 -60.53 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.044 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -52.18 -54.89 25.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.1 mt -50.82 -61.64 2.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -47.76 8.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.6 -47.94 83.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.562 ' CG ' ' CD1' ' A' ' 126' ' ' LEU . 25.9 t80 -59.94 -27.89 67.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -84.9 -27.89 26.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD23 ' HA ' ' A' ' 91' ' ' PRO . 31.2 mt -59.11 -13.03 5.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.15 -14.89 62.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -121.23 -35.28 3.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -171.7 166.2 39.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.529 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.467 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.4 Cg_endo -74.14 137.35 23.68 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.232 . . . . 0.0 112.337 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.747 HG13 ' O ' ' A' ' 108' ' ' GLU . 85.4 t -102.38 116.49 46.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.2 -52.72 64.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.066 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -163.32 160.45 23.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.1 t -124.69 112.75 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -98.79 105.67 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.552 ' HG2' ' HB2' ' A' ' 105' ' ' ALA . 7.2 mtp -99.42 135.17 41.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.459 ' OD1' ' CZ ' ' A' ' 104' ' ' PHE . 9.1 t70 -56.84 150.03 17.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.25 -29.97 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -52.03 -53.69 38.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.866 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -129.69 -46.49 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.82 59.17 1.14 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.426 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.8 m -125.61 2.64 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.854 0.359 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.459 ' CZ ' ' OD1' ' A' ' 98' ' ' ASP . 23.5 p90 -156.64 164.91 37.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.552 ' HB2' ' HG2' ' A' ' 97' ' ' MET . . . -161.19 139.71 9.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.2 mm -91.9 108.4 20.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 82.5 t -94.11 116.12 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.747 ' O ' HG13 ' A' ' 92' ' ' VAL . 27.0 tt0 -101.32 150.34 23.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 5.5 mtp -115.22 162.07 17.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.38 -80.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -111.62 178.72 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.9 p -61.08 -36.1 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.52 -44.48 90.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.49 -45.41 91.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 111.076 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -61.36 -31.57 71.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -65.3 -56.87 10.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -40.5 -61.79 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.41 HG13 ' CE1' ' A' ' 124' ' ' HIS . 86.0 t -50.99 -48.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 51.9 mt -57.81 -25.15 60.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.4 t -95.17 41.38 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.421 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 22.1 tm0? -113.85 140.58 48.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.95 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 m -60.93 -74.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.421 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 40.4 mt-30 -133.75 121.42 21.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.41 ' CE1' HG13 ' A' ' 118' ' ' VAL . 82.3 m-70 -81.2 134.11 35.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 4.4 m -154.21 131.98 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.562 ' CD1' ' CG ' ' A' ' 85' ' ' TYR . 14.2 tp -93.31 48.48 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 55.55 89.44 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 103.82 -52.15 0.78 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -105.3 160.39 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.9 ttp85 -102.88 160.65 14.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 77.1 mt -130.44 133.79 46.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 59.9 mtp180 -89.72 79.19 6.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.506 HG22 HG22 ' A' ' 70' ' ' VAL . 53.3 t -93.88 128.81 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -152.01 150.67 26.36 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.607 0.717 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.68 128.28 10.63 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.642 2.228 . . . . 0.0 112.395 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.6 tpt85 -39.82 -64.61 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -105.93 168.22 9.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 29.9 mm100 -68.97 141.84 54.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 139' ' ' LYS . 10.4 pttm -94.15 87.18 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -140.81 152.07 44.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -131.81 152.59 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 54.8 tp60 -103.41 -56.3 2.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 23.8 m -140.43 144.23 36.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.695 0.76 . . . . 0.0 110.853 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -77.98 144.59 21.54 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -90.37 143.47 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.6 t -101.44 101.03 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -54.65 131.82 44.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.97 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.2 t -110.37 144.17 29.59 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.869 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -77.92 -173.97 2.04 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -47.16 -50.11 21.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.5 p -145.5 142.25 29.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.823 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.7 p -163.24 169.42 19.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -112.55 -89.32 1.82 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 m -89.81 113.99 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.7 t -163.62 131.93 3.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.22 42.19 0.2 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.501 HD23 ' H ' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -113.15 169.88 8.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.779 0.324 . . . . 0.0 110.928 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mtm-85 -130.84 83.44 2.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.428 ' OG ' HD12 ' A' ' 65' ' ' LEU . 1.9 p -159.11 157.43 31.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.43 HG23 ' HB ' ' A' ' 107' ' ' VAL . 6.7 m -150.82 129.49 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 71.2 t80 -86.9 110.11 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 133' ' ' VAL . 78.5 t -104.31 133.5 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.4 t -160.95 155.56 23.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 103.32 28.97 5.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -95.7 151.37 38.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.719 0.771 . . . . 0.0 110.855 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.453 ' HB3' ' CE1' ' A' ' 129' ' ' HIS . 61.5 Cg_endo -75.95 154.47 38.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 ptt85 -63.26 133.74 54.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.94 -36.18 3.95 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.455 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.5 t -49.23 131.58 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.102 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -109.87 146.56 34.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 61.8 p -39.86 -45.17 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.62 -46.01 63.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -62.57 -46.09 89.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.54 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.8 p -59.33 -57.76 11.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.74 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.8 tt0 -50.64 -46.62 58.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -63.43 -39.44 94.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -75.53 -23.54 56.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.74 HD12 ' HA ' ' A' ' 84' ' ' GLU . 29.7 mt -64.87 -14.85 60.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.43 -12.73 61.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -123.4 -26.46 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.407 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 177.83 161.65 26.46 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.527 ' HA ' HD23 ' A' ' 87' ' ' LEU . 60.5 Cg_endo -73.69 122.27 7.67 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.9 t -84.69 99.17 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.53 -48.34 2.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.2 t -166.74 156.51 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.467 HG12 ' HG2' ' A' ' 97' ' ' MET . 85.6 t -122.59 101.09 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.7 t -88.52 93.97 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.467 ' HG2' HG12 ' A' ' 95' ' ' VAL . 39.7 mmm -85.06 117.51 24.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -38.69 143.79 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.1 ptpt -116.32 -19.02 10.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -68.08 -61.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -108.65 -56.71 2.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 49.81 1.25 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.6 m -129.97 0.38 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 14.8 p90 -148.67 159.29 44.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.49 136.44 16.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.691 HD12 ' HE ' ' A' ' 136' ' ' ARG . 4.9 mm -92.55 108.41 20.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.086 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.43 ' HB ' HG23 ' A' ' 68' ' ' VAL . 25.3 t -97.01 129.51 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -105.32 169.37 8.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 31.3 mmm -136.52 143.96 44.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -52.23 -72.61 0.49 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -106.05 174.04 6.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.4 p -67.38 -42.29 87.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.435 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -57.84 -35.58 75.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.407 ' HB1' ' HA3' ' A' ' 90' ' ' GLY . . . -59.78 -51.94 67.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 111.125 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -69.01 -29.4 67.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -64.89 -32.24 73.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -47.86 77.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 65.3 t -51.85 -49.08 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.172 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.615 HD21 ' HB3' ' A' ' 135' ' ' PRO . 50.9 mt -59.33 -14.08 10.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 73.3 m -99.53 30.64 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.508 ' HB3' ' CE1' ' A' ' 124' ' ' HIS . 11.1 tp60 -113.79 108.91 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.846 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 67.6 m -39.26 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.555 ' NE2' ' H ' ' A' ' 123' ' ' GLN . 2.0 pm0 -125.37 133.0 52.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 82.6 m-70 -92.84 157.52 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.5 p -169.29 128.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.431 ' HB2' HD11 ' A' ' 131' ' ' LEU . 15.8 tp -93.99 62.67 3.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 83.9 -41.44 2.97 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.431 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -153.31 -39.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 74' ' ' PRO . 27.0 m-70 -82.32 162.87 22.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.767 0.318 . . . . 0.0 110.857 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -105.56 126.65 52.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.431 HD11 ' HB2' ' A' ' 126' ' ' LEU . 71.1 mt -102.3 146.93 27.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.6 ttt180 -108.28 82.87 1.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.557 HG22 HG22 ' A' ' 70' ' ' VAL . 28.1 t -92.91 118.25 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -120.47 153.12 56.11 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.567 0.698 . . . . 0.0 110.851 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.615 ' HB3' HD21 ' A' ' 119' ' ' LEU . 61.9 Cg_endo -76.26 105.94 2.17 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.395 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.691 ' HE ' HD12 ' A' ' 106' ' ' ILE . 3.7 mtt-85 -52.11 145.43 10.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -148.08 -176.91 5.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -155.94 169.34 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -130.8 43.01 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -96.99 -59.67 1.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.489 ' CG ' ' O ' ' A' ' 141' ' ' PHE . 38.4 t80 62.23 41.79 10.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -142.11 119.27 11.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.926 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.2 t -123.19 145.09 45.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.608 0.718 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.5 173.29 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -115.97 -50.78 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 8.6 t 47.03 41.93 11.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -47.92 -43.44 28.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 77.3 p -155.42 144.03 14.69 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -46.13 171.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.314 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.27 166.8 22.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.4 m -153.59 146.29 24.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.2 p -108.08 -39.56 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.57 76.75 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.8 p -147.88 147.94 30.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -123.87 123.57 40.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.5 -46.43 0.75 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.448 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.44 98.55 0.5 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' A' ' 109' ' ' MET . 3.6 mtp-105 -107.23 44.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.438 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 53.9 p -139.69 143.84 37.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.409 HG12 ' NH1' ' A' ' 115' ' ' ARG . 27.0 m -137.86 142.57 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -82.28 119.47 24.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.7 t -115.93 124.08 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 19.3 p -154.96 166.49 33.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 92.87 28.33 12.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.454 ' HB2' HG21 ' A' ' 77' ' ' VAL . 9.4 p90 -96.46 151.16 37.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.643 0.735 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.667 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.2 Cg_endo -75.44 130.59 12.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.721 2.281 . . . . 0.0 112.339 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -39.46 136.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.48 -31.75 6.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 74' ' ' PRO . 85.5 t -49.83 132.8 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.336 . . . . 0.0 111.114 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -111.27 151.73 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 60.3 p -45.76 -40.93 10.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.64 -55.29 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.11 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -53.35 31.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 30.2 mt -53.5 -56.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.669 ' HA ' HG21 ' A' ' 92' ' ' VAL . 8.6 t -47.15 -59.25 3.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 87' ' ' LEU . 6.7 tt0 -46.57 -57.71 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.591 ' CE1' ' O ' ' A' ' 125' ' ' SER . 24.9 t80 -53.88 -28.56 37.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.486 ' CE2' HG21 ' A' ' 107' ' ' VAL . 28.1 m-85 -81.5 -30.8 33.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 84' ' ' GLU . 98.3 mt -58.51 -24.85 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.86 -15.6 43.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.419 ' CD1' ' OE1' ' A' ' 121' ' ' GLN . 53.3 m-85 -119.58 -29.02 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.4 ' HA3' ' HB1' ' A' ' 114' ' ' ALA . . . 174.1 151.04 8.0 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.409 ' HA ' HD23 ' A' ' 87' ' ' LEU . 72.5 Cg_exo -46.51 153.22 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.669 HG21 ' HA ' ' A' ' 83' ' ' SER . 65.9 t -110.7 96.33 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -46.87 -49.8 19.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.1 m -169.72 169.2 8.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 46.4 t -143.9 120.87 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.069 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.26 104.7 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 90.0 mtp -96.63 129.61 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -53.09 165.07 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 100' ' ' ASP . 20.1 tptm -124.6 -52.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 t0 -37.26 -47.36 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.8 mmmt -123.98 -46.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.04 51.96 4.0 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.506 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 m -118.62 -26.88 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 0.0 111.109 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -123.42 159.81 28.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -157.29 142.51 17.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 15.7 mm -93.81 117.06 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.486 HG21 ' CE2' ' A' ' 86' ' ' PHE . 55.1 t -102.27 147.8 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -127.8 157.31 40.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.442 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 15.1 mmm -117.82 145.51 44.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -46.68 -53.56 9.9 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -129.14 170.58 13.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 113' ' ' GLY . 5.5 p -60.47 -46.06 95.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.467 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -47.0 -52.52 11.79 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.529 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.442 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -45.2 -55.73 5.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.336 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.438 ' NH1' ' O ' ' A' ' 67' ' ' SER . 15.3 ttt85 -49.22 -51.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -47.64 -46.57 28.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.95 -62.02 1.9 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 91.2 t -45.35 -53.93 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 52.1 mt -62.54 -31.96 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.1 t -91.19 29.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.419 ' OE1' ' CD1' ' A' ' 89' ' ' PHE . 6.8 tp60 -106.48 151.58 24.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.2 m -59.75 -74.89 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -128.67 169.23 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -129.16 150.14 50.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.591 ' O ' ' CE1' ' A' ' 85' ' ' TYR . 7.9 t -173.78 146.82 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.0 tp -110.66 40.89 1.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 59.74 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 108.91 -55.18 0.52 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.49 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -116.86 177.75 4.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 64.3 mtp85 -110.64 172.89 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.5 mt -133.48 150.21 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -113.21 51.59 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.51 143.14 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.089 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.32 145.37 7.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.37 149.76 2.53 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.642 2.228 . . . . 0.0 112.32 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -95.57 124.25 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 13.2 mp0 -133.56 143.06 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -84.83 129.9 34.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 10.5 ptmm? -111.76 29.84 7.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -112.63 83.77 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -77.62 81.52 4.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -100.32 93.76 5.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 36.5 p -171.2 144.06 1.66 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.705 0.764 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.469 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 71.5 Cg_exo -45.96 -29.0 5.58 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.712 2.275 . . . . 0.0 112.342 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 144' ' ' PRO . . . 70.27 32.85 2.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.05 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 69.4 p -100.12 91.58 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -140.08 106.62 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 61.1 p -85.97 143.64 37.88 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.716 0.769 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -78.62 138.34 15.16 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.236 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -166.78 146.76 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.528 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -154.23 137.32 15.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.841 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.5 t -69.74 133.23 47.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.13 108.24 2.42 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.0 t -95.3 143.6 26.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.9 t -59.0 -48.24 82.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -168.32 99.58 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.442 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 mt -56.63 -40.15 74.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 55.0 45.22 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.2 t -138.33 156.75 47.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.91 149.35 33.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -91.11 118.19 30.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.57 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 78.2 t -112.78 127.61 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.088 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 t -151.08 165.28 34.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.78 33.37 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -90.7 143.74 29.41 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.609 0.718 . . . . 0.0 110.878 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.99 158.44 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.301 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -72.84 127.56 32.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 106.98 -36.26 4.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 76' ' ' GLY . 80.7 t -35.04 125.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -104.48 172.6 6.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 94.5 p -60.78 -41.45 95.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -50.32 -58.72 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -55.24 -56.51 19.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 32.1 mt -47.68 -56.53 7.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.1 t -54.53 -51.83 63.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.96 -42.92 69.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.541 ' CZ ' ' O ' ' A' ' 125' ' ' SER . 19.7 t80 -69.95 -29.52 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.952 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.57 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 31.1 m-85 -81.62 -23.57 36.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 87' ' ' LEU . 21.0 mt -62.57 -24.34 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.31 -22.81 65.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CE2' ' HG3' ' A' ' 121' ' ' GLN . 78.6 m-85 -111.56 -37.1 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.05 166.59 38.74 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.511 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.42 ' HA ' HD23 ' A' ' 87' ' ' LEU . 59.4 Cg_endo -72.6 124.93 10.17 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.656 2.237 . . . . 0.0 112.373 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.422 HG21 ' HB2' ' A' ' 86' ' ' PHE . 76.0 t -85.64 107.56 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HB3' ' CB ' ' A' ' 108' ' ' GLU . . . -50.52 -45.63 56.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.0 t -173.92 158.33 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.435 HG12 ' HG3' ' A' ' 97' ' ' MET . 98.2 t -122.85 99.45 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.3 t -88.48 100.34 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.435 ' HG3' HG12 ' A' ' 95' ' ' VAL . 54.1 mtp -95.35 136.85 35.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -55.32 156.07 4.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -111.29 -35.2 5.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -48.12 -60.41 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -125.21 -46.88 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.915 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.61 55.0 1.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 16.5 m -114.34 4.64 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -158.56 167.89 28.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -165.38 135.97 3.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 7.1 mm -87.89 107.8 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 86' ' ' PHE . 53.1 t -91.73 117.17 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' CB ' ' HB3' ' A' ' 93' ' ' ALA . 71.8 mt-10 -94.58 161.83 14.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 47.0 mmm -125.49 152.99 44.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -57.07 -59.64 10.5 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -121.88 173.13 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 113' ' ' GLY . 8.0 p -67.41 -44.09 87.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.466 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -52.34 -36.63 46.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.506 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.1 93.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.322 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -68.31 -35.29 77.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 60.9 mt-10 -59.32 -36.57 75.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.95 -56.94 10.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 124' ' ' HIS . 52.9 t -48.77 -47.45 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.9 mt -71.09 -30.19 66.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.9 m -96.33 36.56 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.48 ' HG3' ' CE2' ' A' ' 89' ' ' PHE . 0.0 OUTLIER -102.55 154.67 18.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.4 m -61.98 -75.23 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -140.04 122.1 15.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.444 ' NE2' ' O ' ' A' ' 118' ' ' VAL . 73.4 m-70 -78.01 131.52 37.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.541 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 2.3 t -148.51 153.16 38.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.0 tp -113.17 32.68 5.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.02 -82.01 0.8 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.541 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -87.39 -44.08 5.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -109.09 172.94 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.764 0.316 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -106.16 174.37 5.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 55.0 mt -134.79 151.87 51.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 46.4 ttt180 -111.45 88.02 2.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.478 HG22 HG22 ' A' ' 70' ' ' VAL . 51.9 t -99.92 132.3 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.118 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -136.23 150.49 71.08 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.877 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.92 131.25 13.55 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.7 tpt85 -54.66 -58.15 8.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -53.72 127.85 27.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.31 104.72 11.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -116.36 123.38 47.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.444 ' HG3' ' CE2' ' A' ' 141' ' ' PHE . 4.7 tp10 -81.63 -45.37 15.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 140' ' ' GLU . 88.8 m-85 -124.36 117.68 25.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -57.26 -30.58 64.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 38.1 m -155.49 155.78 30.12 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.701 0.762 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.15 -44.18 0.21 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -99.02 168.16 10.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.2 t -73.47 148.37 43.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -79.78 175.14 10.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 15.3 m -151.06 149.71 25.62 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.617 0.722 . . . . 0.0 110.824 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 150' ' ' LYS . 62.0 Cg_endo -77.65 158.11 32.0 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 149' ' ' PRO . 34.6 tttt -37.48 131.4 0.91 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 179.922 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.9 t -91.24 135.9 33.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 58.0 m -159.82 176.64 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.2 -113.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.522 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.4 t -110.6 157.08 20.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.0 p -116.22 174.37 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 167.88 117.1 0.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' O ' ' NH1' ' A' ' 115' ' ' ARG . 5.9 mp -86.98 -40.0 15.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.825 0.345 . . . . 0.0 110.908 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 22.9 mtm-85 -109.58 82.07 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.404 ' C ' ' HG3' ' A' ' 136' ' ' ARG . 72.3 m -157.16 168.66 26.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -150.7 134.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 104' ' ' PHE . 33.1 t80 -76.93 112.22 13.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.412 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 67.7 t -110.78 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.1 t -130.78 156.28 45.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.411 ' O ' HD23 ' A' ' 131' ' ' LEU . . . 98.7 29.8 7.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -94.99 156.94 37.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.696 0.76 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.802 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.0 Cg_endo -75.47 147.71 32.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.698 2.266 . . . . 0.0 112.29 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.3 mtm-85 -52.09 155.7 1.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.2 -32.9 4.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.802 HG23 ' O ' ' A' ' 74' ' ' PRO . 76.3 t -43.39 135.81 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.846 0.355 . . . . 0.0 111.123 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -123.09 150.82 42.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 57.4 p -45.15 -36.58 3.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -55.22 31.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -53.52 -55.66 23.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.4 mt -52.27 -64.45 0.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 61.9 p -39.91 -52.49 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.604 ' HA ' HD12 ' A' ' 87' ' ' LEU . 3.6 tt0 -50.75 -50.56 55.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -63.32 -26.41 68.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.46 ' CE2' HG21 ' A' ' 107' ' ' VAL . 30.2 m-85 -88.15 -20.01 26.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 84' ' ' GLU . 32.8 mt -64.2 -17.72 63.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.09 -12.22 61.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.645 ' CZ ' ' NE2' ' A' ' 121' ' ' GLN . 53.8 m-85 -124.48 -15.74 6.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 164.76 160.49 12.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.524 ' HA ' HD23 ' A' ' 87' ' ' LEU . 59.8 Cg_endo -73.14 127.6 12.2 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.422 HG11 ' CG2' ' A' ' 95' ' ' VAL . 43.5 t -89.72 102.46 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.14 -53.64 6.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 t -162.2 158.51 24.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.422 ' CG2' HG11 ' A' ' 92' ' ' VAL . 67.4 t -126.11 103.14 11.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 65.7 t -95.26 100.81 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.9 ptp -108.27 136.34 48.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -51.92 131.98 31.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -91.45 -37.86 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -47.23 -49.66 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -131.98 -48.25 0.94 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.11 54.83 2.22 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.63 -9.04 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 13.9 p90 -151.53 157.42 42.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -148.02 143.83 27.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.09 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.639 HG23 ' HD2' ' A' ' 136' ' ' ARG . 8.7 mm -104.21 105.66 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.46 HG21 ' CE2' ' A' ' 86' ' ' PHE . 22.0 t -92.38 122.35 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -104.21 138.19 41.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 19.0 mmm -99.23 154.0 18.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -65.05 -64.49 3.48 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.521 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -110.81 165.55 11.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 113' ' ' GLY . 6.3 p -61.48 -46.91 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.493 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -50.81 -31.85 24.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.87 -48.78 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.824 0.345 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.437 ' NH1' ' O ' ' A' ' 65' ' ' LEU . 24.3 ttt180 -62.85 -29.32 70.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -65.86 -48.38 71.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.21 -65.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 96.8 t -44.24 -58.03 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.09 -23.05 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.3 m -99.17 28.89 4.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.645 ' NE2' ' CZ ' ' A' ' 89' ' ' PHE . 4.4 tt0 -100.13 148.74 24.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.9 t -61.46 -75.08 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -132.16 136.34 47.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 79.9 m-70 -97.39 124.27 41.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 75.9 p -154.02 121.93 5.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.9 tp -90.08 114.61 26.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 58.32 -98.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.517 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -129.52 32.32 3.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -128.47 -177.04 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.787 0.327 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -123.43 134.23 53.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 72' ' ' GLY . 65.0 mt -119.06 165.25 14.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -127.65 84.79 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.7 t -94.96 115.29 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -124.09 152.82 67.63 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.578 0.704 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -46.89 152.22 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.684 2.256 . . . . 0.0 112.315 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.639 ' HD2' HG23 ' A' ' 106' ' ' ILE . 0.6 OUTLIER -88.71 177.55 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 136' ' ' ARG . 40.4 mm-40 36.24 39.8 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -117.27 96.75 5.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 140' ' ' GLU . 0.0 OUTLIER -124.62 38.95 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 139' ' ' LYS . 4.0 pt-20 34.43 39.06 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -103.52 -67.36 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -121.11 155.65 34.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.0 m -129.56 92.78 36.99 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 110.872 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.23 112.08 3.4 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -105.7 91.61 3.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 17.3 t -130.94 103.77 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -80.2 102.34 9.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.9 m -107.6 92.9 9.23 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.648 0.737 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.28 91.79 1.03 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.662 2.241 . . . . 0.0 112.362 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -172.64 110.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.462 179.942 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.5 p -83.38 93.62 7.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 0.0 110.819 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 13.7 t -151.05 154.12 36.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.11 169.05 12.35 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 97.4 p -133.36 42.8 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 31.1 m -132.29 130.4 40.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.89 77.33 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.9 mt -82.58 154.04 25.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 65.9 mtt180 -123.92 41.3 3.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.4 m -125.87 161.91 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.413 ' CG1' ' HG3' ' A' ' 115' ' ' ARG . 13.7 m -141.47 135.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' A' ' 104' ' ' PHE . 30.0 t80 -79.42 113.92 17.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 107' ' ' VAL . 85.8 t -108.78 131.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.457 ' HB3' ' CE1' ' A' ' 69' ' ' PHE . 24.5 p -158.24 172.89 17.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.33 22.52 56.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.6 p90 -87.45 156.14 53.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.628 0.727 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.86 148.02 27.84 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.359 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -57.51 136.84 56.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.36 -26.57 10.96 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 65.5 t -67.19 125.66 25.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.815 0.341 . . . . 0.0 111.111 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -101.25 -176.45 3.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -79.75 -7.54 58.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -85.11 -47.81 9.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.27 -43.0 92.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 41.6 mt -58.87 -52.01 67.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.0 p -56.12 -57.93 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -50.0 -45.41 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.775 ' CD2' HD13 ' A' ' 126' ' ' LEU . 5.9 t80 -64.97 -24.77 67.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -92.25 1.63 57.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.4 -15.08 53.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.924 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.27 -1.71 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.087 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -126.71 -36.37 2.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.41 ' HA3' ' CB ' ' A' ' 114' ' ' ALA . . . -174.03 172.75 45.55 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.55 126.85 9.26 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.705 2.27 . . . . 0.0 112.367 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.7 t -88.83 118.9 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.67 -48.72 71.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.094 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.5 t -168.18 156.63 8.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.17 101.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.25 100.85 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 19.4 ptm -116.68 136.54 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.63 142.69 55.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 21.8 tptp -105.13 -53.33 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.914 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -44.16 -50.05 8.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -108.81 -51.03 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.75 68.68 1.55 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.503 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.35 -28.81 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.132 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.524 ' HB2' ' CE2' ' A' ' 69' ' ' PHE . 14.3 p90 -132.73 156.37 47.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.11 124.6 8.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.3 mm -81.7 107.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 70' ' ' VAL . 42.7 t -91.01 106.23 17.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -92.29 140.13 29.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mmm -108.46 174.52 5.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -87.53 -59.52 1.72 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -110.09 165.39 11.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 12.2 p -68.44 -20.92 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -72.37 -43.55 45.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.41 ' CB ' ' HA3' ' A' ' 90' ' ' GLY . . . -52.36 -49.49 64.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.307 . . . . 0.0 111.083 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.413 ' HG3' ' CG1' ' A' ' 68' ' ' VAL . 22.6 ttt180 -58.55 -50.09 75.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -52.76 -42.69 65.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.35 -45.92 76.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.11 -49.61 80.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.1 -34.98 75.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.3 m -90.03 37.66 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.434 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 18.8 tm0? -106.76 148.64 28.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.7 m -66.81 -74.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.434 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 89.0 mt-30 -131.8 138.06 48.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -103.65 145.88 29.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 51.1 p -164.19 148.46 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.827 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.775 HD13 ' CD2' ' A' ' 85' ' ' TYR . 15.8 tp -127.11 90.94 3.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.89 40.75 95.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 98.42 -45.93 1.59 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.475 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -57.07 177.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 9.0 mmt180 -119.67 159.43 24.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.414 HD11 ' HB2' ' A' ' 126' ' ' LEU . 69.4 mt -137.69 148.71 45.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.4 mmt-85 -114.87 74.43 0.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 36.3 t -78.24 135.2 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -151.05 144.02 16.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.572 0.701 . . . . 0.0 110.875 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -45.61 143.75 5.83 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.683 2.256 . . . . 0.0 112.306 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -68.92 148.27 50.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -92.73 142.44 27.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -89.6 -57.05 3.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 38.5 tttt 42.23 46.14 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -119.59 149.43 41.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -91.85 47.0 1.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . 0.454 ' O ' ' C ' ' A' ' 143' ' ' SER . 19.8 tp60 -76.47 99.08 4.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.454 ' C ' ' O ' ' A' ' 142' ' ' GLN . 74.3 p -33.49 96.36 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.688 0.756 . . . . 0.0 110.82 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 142' ' ' GLN . 71.5 Cg_exo -45.83 108.95 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.354 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -126.22 112.78 16.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 41.1 t -125.2 114.4 18.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 56.4 tttt -130.41 89.52 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 25.7 p -163.3 154.8 14.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.687 0.756 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.11 179.36 6.6 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -54.32 -45.1 72.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t -69.85 98.12 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 0.0 110.851 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.5 m -81.11 129.41 34.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 164.24 -67.19 0.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -99.3 36.87 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.873 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 98.9 p -170.33 145.93 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.826 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.53 138.92 11.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.456 HD12 ' H ' ' A' ' 65' ' ' LEU . 6.2 mp -65.4 -41.3 93.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.0 mtt85 -114.98 70.68 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.9 t -151.04 174.03 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 107' ' ' VAL . 5.8 m -148.0 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 82.3 t80 -91.11 116.45 28.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 133' ' ' VAL . 93.6 t -116.38 131.36 69.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.106 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 52.7 p -159.27 166.87 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 95.06 21.53 25.18 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.05 154.77 47.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.649 0.738 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -76.6 170.79 19.24 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.334 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.4 mtm-85 -75.87 130.03 37.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.06 -36.06 3.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.482 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 133.23 16.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.142 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -114.52 150.64 34.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 80.3 p -48.2 -31.25 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.54 -49.79 72.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -61.28 -46.75 89.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.6 mt -53.74 -55.28 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 62.9 p -49.56 -58.45 5.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.538 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.7 tt0 -48.82 -38.29 21.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.721 ' CD2' HD13 ' A' ' 126' ' ' LEU . 15.0 t80 -76.47 -28.54 56.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -85.34 -11.34 54.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 84' ' ' GLU . 38.3 mt -75.1 -10.06 59.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.16 -7.2 51.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -126.67 -28.75 2.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 178.09 167.36 35.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.67 129.57 13.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 68.7 t -93.34 107.91 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.36 -47.99 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.3 m -173.46 158.69 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 107' ' ' VAL . 73.5 t -125.2 109.32 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.48 82.96 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.448 ' HG3' HG12 ' A' ' 95' ' ' VAL . 71.7 mtp -76.21 114.78 15.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -46.01 149.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -108.66 -30.32 8.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -55.25 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 103' ' ' VAL . 19.1 mmtt -126.2 3.5 7.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.866 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 101' ' ' LYS . . . 37.66 27.08 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 101' ' ' LYS . 1.2 p -75.55 -8.43 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' A' ' 104' ' ' PHE . 4.2 p90 -156.78 164.37 38.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -149.55 130.41 14.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 43.5 mm -82.42 107.73 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.462 HG22 HG22 ' A' ' 95' ' ' VAL . 20.7 t -96.45 118.59 43.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -94.21 164.2 13.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 41.6 mmm -130.76 152.77 49.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -54.11 -79.96 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.502 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -111.15 168.79 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.881 0.372 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.7 p -54.58 -37.57 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.02 -39.36 68.78 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.66 -55.99 14.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.401 ' NH1' ' O ' ' A' ' 65' ' ' LEU . 26.1 ttp180 -53.88 -38.77 65.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -59.57 -44.21 93.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.96 -54.91 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.32 -45.66 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.179 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.408 HD22 ' HG3' ' A' ' 135' ' ' PRO . 94.0 mt -60.77 -30.54 70.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.7 t -97.78 50.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 123' ' ' GLN . 3.5 tm0? -115.83 143.14 45.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -58.4 -72.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.404 ' C ' ' OE1' ' A' ' 121' ' ' GLN . 6.8 tm0? -137.0 122.96 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -83.87 120.0 25.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 19.6 t -146.24 121.29 10.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.721 HD13 ' CD2' ' A' ' 85' ' ' TYR . 17.1 tp -91.71 99.11 12.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 48.53 43.16 27.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.487 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 100.96 -39.74 2.64 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.523 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -67.23 115.16 6.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.811 0.339 . . . . 0.0 110.835 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -67.08 143.73 56.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.5 mt -135.68 133.45 38.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.3 mtm180 -95.02 90.0 5.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 70' ' ' VAL . 48.9 t -98.33 127.91 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -139.95 149.2 58.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.408 ' HG3' HD22 ' A' ' 119' ' ' LEU . 71.2 Cg_exo -45.64 158.16 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -120.09 95.72 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -154.14 169.53 23.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -116.15 139.91 49.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -68.23 171.57 6.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -145.73 122.63 11.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -68.24 136.64 53.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -174.97 133.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 59.7 m -151.54 144.23 16.76 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.654 0.74 . . . . 0.0 110.822 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -77.16 173.89 13.67 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.657 2.238 . . . . 0.0 112.393 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -167.51 176.36 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.0 t -65.27 109.15 2.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 46.0 tttt -58.53 138.61 56.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 59.8 p -82.2 150.55 64.66 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.659 0.742 . . . . 0.0 110.846 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -76.95 121.48 5.86 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.729 2.286 . . . . 0.0 112.374 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 169.13 9.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.49 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.9 t -124.28 88.82 2.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.1 t -94.24 96.53 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.1 -110.0 0.58 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.467 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 t 63.47 41.1 7.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.873 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 52.4 p 40.23 43.37 1.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.46 81.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 pp -57.64 165.35 1.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -116.56 80.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.3 t -164.99 145.75 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.2 m -120.91 139.03 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.488 ' CE1' ' HB2' ' A' ' 104' ' ' PHE . 79.8 t80 -83.49 123.82 30.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.901 HG22 HG22 ' A' ' 133' ' ' VAL . 56.1 t -120.89 125.73 74.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 60.0 p -149.1 153.81 38.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.06 33.25 7.04 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.46 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -93.47 156.99 39.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.615 0.722 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.542 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.8 Cg_endo -76.64 144.04 24.66 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.366 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -50.66 156.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 92.87 -41.3 2.74 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 74' ' ' PRO . 95.3 t -44.74 120.48 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -106.29 148.32 28.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.0 p -39.28 -59.48 1.04 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.56 -53.41 3.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.082 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 82' ' ' LEU . 56.1 mt-30 -52.77 -66.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.455 HD22 ' HE2' ' A' ' 86' ' ' PHE . 29.1 mt -37.02 -50.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 t -53.18 -61.63 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.491 ' HA ' HD12 ' A' ' 87' ' ' LEU . 3.6 tt0 -46.43 -36.54 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -76.8 -29.4 56.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.914 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.455 ' HE2' HD22 ' A' ' 82' ' ' LEU . 41.9 m-85 -87.64 -1.77 58.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 84' ' ' GLU . 25.5 mt -78.34 -16.09 58.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.47 -18.57 62.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.096 179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -115.1 -27.83 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 177.74 164.73 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.436 ' HA ' HD23 ' A' ' 87' ' ' LEU . 61.3 Cg_endo -75.56 125.41 8.94 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.364 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.444 HG21 ' HB2' ' A' ' 86' ' ' PHE . 91.7 t -87.14 120.94 37.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -71.51 -45.19 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.6 p -167.41 151.25 6.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.25 96.04 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.106 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.34 97.95 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.2 ptp -102.64 145.28 29.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -54.75 150.9 9.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -115.65 -42.17 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -51.38 -47.3 62.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -121.92 -54.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.72 64.81 1.15 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 31.0 m -118.31 -40.01 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.866 0.365 . . . . 0.0 111.164 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.488 ' HB2' ' CE1' ' A' ' 69' ' ' PHE . 13.2 p90 -120.15 163.57 17.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -159.78 135.42 8.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 14.9 mm -87.8 112.98 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 55.6 t -100.04 98.13 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -78.48 150.35 32.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 53.0 mmm -114.35 167.78 10.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -69.04 -69.92 1.28 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -121.23 178.71 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.9 p -59.26 -42.32 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -53.25 -39.16 58.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.55 -51.96 55.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.765 0.316 . . . . 0.0 111.092 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -57.2 -38.65 74.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.85 -52.49 63.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.45 -46.92 9.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.081 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 72.1 t -68.53 -42.01 83.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 35.9 mt -62.56 -33.69 75.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 48.5 t -88.15 41.27 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.607 HE22 ' N ' ' A' ' 124' ' ' HIS . 0.9 OUTLIER -106.92 163.12 13.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.0 m -99.02 -74.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.476 ' N ' ' OE1' ' A' ' 121' ' ' GLN . 51.7 mt-30 -130.55 109.17 10.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.607 ' N ' HE22 ' A' ' 121' ' ' GLN . 67.3 m-70 -71.63 154.62 41.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.4 p -169.9 120.98 0.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 51.8 tp -93.15 87.04 5.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 54.66 44.35 79.53 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 106.73 -39.18 2.97 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.27 163.54 17.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.801 0.334 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -110.31 148.52 31.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.98 156.75 48.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 16.4 ttm-85 -120.66 88.99 3.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.901 HG22 HG22 ' A' ' 70' ' ' VAL . 43.6 t -101.77 136.86 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.189 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.97 157.07 32.49 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.635 0.731 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.54 108.4 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.281 . . . . 0.0 112.366 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -41.82 114.91 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -90.63 160.16 16.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -145.63 165.42 28.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -129.99 162.98 27.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -90.81 150.56 21.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -113.44 171.61 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -38.59 144.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 91.9 p -125.57 92.64 46.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.677 0.751 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.87 -49.86 0.1 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.74 2.293 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -174.6 108.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 5.1 t -79.54 101.34 8.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.64 127.47 2.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 56.0 p -126.04 96.64 36.76 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 0.0 110.861 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.16 154.95 47.14 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.67 2.247 . . . . 0.0 112.399 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -116.2 99.52 7.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.6 p -51.69 133.61 30.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 76.4 p -108.08 168.79 9.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.34 57.93 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.6 p -148.92 162.7 39.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.877 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 68.5 m -61.91 -52.26 64.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 88.66 57.97 1.78 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.63 149.23 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.896 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 -91.39 43.92 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.2 p -110.34 156.92 20.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 68' ' ' VAL . 18.7 m -141.07 129.08 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 18.6 t80 -85.67 117.26 24.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 59.2 t -110.89 125.81 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 69' ' ' PHE . 18.5 t -145.16 150.33 36.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.34 32.29 5.83 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.505 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -93.41 144.3 28.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.678 0.751 . . . . 0.0 110.899 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.61 165.61 0.06 OUTLIER 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.668 2.245 . . . . 0.0 112.375 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -75.83 125.93 30.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 77' ' ' VAL . . . 110.09 -37.96 3.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 76' ' ' GLY . 99.5 t -36.4 136.78 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 111.095 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -129.11 158.18 39.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.7 t -43.78 -42.42 5.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -49.64 -57.4 7.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -62.37 -57.47 11.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.9 mt -42.51 -52.42 4.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -51.93 -50.32 61.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.4 tt0 -56.33 -45.67 80.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.553 ' CG ' HD12 ' A' ' 126' ' ' LEU . 15.5 t80 -66.3 -22.86 66.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.452 ' CZ ' HG21 ' A' ' 70' ' ' VAL . 30.8 m-85 -89.52 -23.57 22.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.544 HD23 ' HA ' ' A' ' 91' ' ' PRO . 30.9 mt -62.04 -24.08 66.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.91 -18.78 63.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.082 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' CZ ' ' OE1' ' A' ' 121' ' ' GLN . 62.5 m-85 -116.09 -31.22 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -179.52 162.02 28.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.544 ' HA ' HD23 ' A' ' 87' ' ' LEU . 58.9 Cg_endo -72.07 137.11 28.42 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.705 2.27 . . . . 0.0 112.372 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG13 ' O ' ' A' ' 108' ' ' GLU . 73.5 t -97.91 121.54 48.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.418 ' HB3' ' OE1' ' A' ' 108' ' ' GLU . . . -67.61 -49.64 62.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.5 m -163.59 159.36 21.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.9 t -130.7 120.24 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.4 t -104.76 102.43 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 32.2 mmm -87.14 129.92 34.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.454 ' HB2' ' CE1' ' A' ' 104' ' ' PHE . 36.8 t70 -45.55 116.92 1.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.12 10.55 18.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -93.94 -57.25 2.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -123.26 -67.59 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 124.27 54.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.447 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.9 m -130.72 2.74 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 98' ' ' ASP . 14.1 p90 -158.45 166.99 30.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -162.05 148.21 13.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.8 mm -96.83 95.35 4.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.43 HG21 ' CE2' ' A' ' 86' ' ' PHE . 37.8 t -76.6 136.63 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.516 ' O ' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -114.17 134.43 54.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.485 ' N ' ' OE1' ' A' ' 108' ' ' GLU . 51.9 mmm -102.82 128.92 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 109' ' ' MET . . . -35.84 -72.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.51 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -107.58 179.29 4.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 113' ' ' GLY . 7.3 p -72.43 -47.08 53.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.513 ' N ' HG13 ' A' ' 112' ' ' VAL . . . -46.75 -43.93 16.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.15 -42.93 91.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.75 0.309 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . 0.443 ' NH1' HD11 ' A' ' 119' ' ' LEU . 36.2 ttp85 -65.66 -46.95 77.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -49.75 -45.26 49.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.61 -59.58 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 85.2 t -44.11 -52.59 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.443 HD11 ' NH1' ' A' ' 115' ' ' ARG . 28.9 mt -62.39 -27.43 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.6 t -98.8 41.69 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.476 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 1.4 tt0 -108.22 152.17 24.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.3 m -65.63 -74.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 121' ' ' GLN . 91.7 mt-30 -132.56 127.13 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.952 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -88.61 129.65 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.422 ' O ' ' CZ ' ' A' ' 85' ' ' TYR . 84.1 p -157.32 149.33 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.553 HD12 ' CG ' ' A' ' 85' ' ' TYR . 13.7 tp -105.69 -55.68 2.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.81 71.59 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 113.96 -38.65 3.1 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.499 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -108.75 172.82 6.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 20.3 mmt85 -108.95 148.42 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.06 115.51 29.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -74.86 80.01 2.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 40.2 t -80.72 129.22 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -141.38 153.82 66.4 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.632 0.73 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.33 108.11 2.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.96 112.95 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -138.93 136.41 35.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -135.21 148.51 49.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -134.99 154.78 51.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -99.18 124.55 44.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -45.73 -54.45 7.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -135.81 111.44 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.0 t -68.56 142.25 93.96 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.642 0.734 . . . . 0.0 110.85 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -78.57 130.45 9.84 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.695 2.263 . . . . 0.0 112.367 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -43.49 142.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 33.4 t -127.88 142.01 51.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -171.7 121.7 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 76.9 p -96.27 152.33 38.71 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.9 171.54 17.8 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.342 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -48.98 -33.75 11.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.3 p -70.72 -49.38 47.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.8 t -70.04 115.95 9.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -139.52 117.46 1.35 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.7 m -85.25 -55.74 3.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.847 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.6 p -74.69 123.33 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.27 105.44 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.506 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.8 mt -56.14 -175.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.836 0.35 . . . . 0.0 110.928 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HG2' ' N ' ' A' ' 112' ' ' VAL . 0.0 OUTLIER -106.52 59.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 m -106.61 155.57 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 107' ' ' VAL . 34.6 m -141.07 147.3 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -94.02 118.08 31.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 66.8 t -113.26 141.9 27.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.093 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 54.8 p -165.28 138.25 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 124.78 24.69 1.66 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -89.66 155.41 48.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.842 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.24 -179.67 5.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -83.36 148.52 27.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 81.44 27.38 48.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 77.7 t -97.67 134.4 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 80' ' ' ALA . 3.8 m-20 -110.25 134.98 51.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 78' ' ' ASP . 77.3 p -35.66 -33.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' ASP . . . -60.1 -56.35 22.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -50.11 -51.63 41.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.54 -61.77 2.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.9 p -45.67 -57.57 4.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.2 tt0 -46.75 -41.67 15.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' A' ' 126' ' ' LEU . 28.2 t80 -71.99 -25.29 61.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.598 ' CE2' HG21 ' A' ' 107' ' ' VAL . 33.4 m-85 -91.69 -2.82 56.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 84' ' ' GLU . 47.2 mt -84.47 -11.91 55.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.28 -6.53 40.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.072 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -124.9 -34.65 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -174.37 165.51 37.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.46 123.74 9.76 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.374 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.652 HG13 ' O ' ' A' ' 108' ' ' GLU . 63.1 t -89.06 109.05 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.104 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.63 -48.28 58.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 m -170.03 167.23 9.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 84.3 t -134.37 130.21 53.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 99.6 t -116.11 90.35 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 25.5 ptm -99.98 128.61 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -49.44 156.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -120.81 -42.27 2.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.89 -55.34 14.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -113.05 -54.16 2.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.76 68.73 1.33 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.51 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 m -132.19 1.94 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 111.127 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -156.12 153.52 29.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -152.32 127.7 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.084 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 21.8 mm -88.3 103.77 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.611 ' O ' HG22 ' A' ' 68' ' ' VAL . 24.9 t -92.4 122.1 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.652 ' O ' HG13 ' A' ' 92' ' ' VAL . 50.8 tt0 -105.44 163.56 12.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 mmm -124.12 -176.7 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -88.26 -47.79 4.26 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.482 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -141.49 174.77 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.449 ' N ' ' HG2' ' A' ' 66' ' ' ARG . 9.2 p -58.5 -35.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.03 89.29 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.71 -52.77 12.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -63.59 -26.38 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -69.61 -37.21 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.97 -50.04 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.34 -52.57 37.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.5 mt -62.05 -35.5 78.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.8 t -91.64 42.06 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.49 138.73 43.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.914 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.7 m -47.41 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -140.04 125.23 18.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.424 ' CD2' ' HB ' ' A' ' 133' ' ' VAL . 62.1 m-70 -79.67 120.8 24.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 35.2 t -147.65 128.33 14.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 85' ' ' TYR . 22.4 tp -94.81 79.77 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.916 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 45.13 61.37 3.55 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 112.48 -53.68 0.58 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 28.1 m80 -72.31 167.42 20.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.78 0.324 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -125.91 127.69 46.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 39.9 mt -109.12 150.79 27.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -108.42 78.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.424 ' HB ' ' CD2' ' A' ' 124' ' ' HIS . 32.5 t -80.31 120.72 32.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -126.98 155.98 74.91 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.563 0.697 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.67 114.29 3.82 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.695 2.263 . . . . 0.0 112.334 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.7 tpt85 -42.39 -53.34 4.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -105.56 161.4 14.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -122.2 -179.16 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -154.44 118.1 4.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -68.45 -51.45 43.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -73.9 140.03 45.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.85 163.74 13.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 28.7 p -131.57 144.3 52.77 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.67 0.748 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.88 109.13 2.79 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.225 . . . . 0.0 112.352 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -56.13 -27.34 53.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 20.3 t -72.32 128.87 36.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.38 159.08 3.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 87.8 p -122.68 92.95 48.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.67 0.748 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -44.81 102.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.359 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -142.18 149.73 40.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.3 m -77.56 153.95 32.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 56.4 p -116.28 118.39 32.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -122.05 170.87 15.1 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.6 m -89.82 -68.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.343 . . . . 0.0 110.824 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 5.9 p -161.8 158.11 25.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.05 109.8 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.498 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -117.43 154.36 31.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.808 0.337 . . . . 0.0 110.951 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.2 mtm-85 -130.38 33.68 4.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.4 p -115.42 153.55 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 107' ' ' VAL . 29.1 m -141.84 135.95 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -82.06 111.92 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.8 t -109.8 142.61 21.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.7 t -165.62 175.74 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.815 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.78 33.23 27.86 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 p90 -98.27 154.63 37.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.682 0.753 . . . . 0.0 110.88 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.536 ' O ' HG23 ' A' ' 77' ' ' VAL . 61.4 Cg_endo -75.56 130.86 13.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.715 2.276 . . . . 0.0 112.389 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -42.52 145.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 105.57 -31.61 8.29 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.438 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 74' ' ' PRO . 88.4 t -56.81 143.68 10.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.13 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -126.0 168.07 14.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 56.0 p -58.15 -41.48 83.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.826 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.33 92.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -66.35 -54.64 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 29.0 mt -47.79 -56.43 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 96.6 p -48.44 -56.01 9.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.6 tt0 -54.72 -27.98 44.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -83.15 -26.07 31.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -93.11 -14.05 27.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 84' ' ' GLU . 30.3 mt -66.57 -32.37 73.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.19 -15.09 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.083 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -119.42 -38.19 3.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -172.13 160.49 32.02 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.54 ' HA ' HD23 ' A' ' 87' ' ' LEU . 58.9 Cg_endo -72.31 123.28 9.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.564 HG11 ' CG2' ' A' ' 95' ' ' VAL . 83.7 t -81.52 105.23 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.422 ' HB3' ' CB ' ' A' ' 108' ' ' GLU . . . -47.72 -45.35 28.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -170.72 156.88 5.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.564 ' CG2' HG11 ' A' ' 92' ' ' VAL . 84.1 t -129.66 97.85 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.11 105.69 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.173 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.428 ' SD ' ' HB2' ' A' ' 105' ' ' ALA . 23.9 mmm -88.32 132.62 34.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.556 ' OD2' ' CZ ' ' A' ' 104' ' ' PHE . 5.8 t70 -51.56 136.26 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HA ' ' NZ ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -100.36 -44.09 6.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -45.65 -51.25 12.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.0 mmtt -123.92 -52.33 1.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 41.93 4.08 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 19.5 m -100.52 -38.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.359 . . . . 0.0 111.086 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CZ ' ' OD2' ' A' ' 98' ' ' ASP . 7.5 p90 -119.41 176.0 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.428 ' HB2' ' SD ' ' A' ' 97' ' ' MET . . . -160.26 144.93 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.3 mm -95.03 114.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.44 ' O ' HG22 ' A' ' 68' ' ' VAL . 55.5 t -103.3 124.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' CB ' ' HB3' ' A' ' 93' ' ' ALA . 72.0 mt-10 -104.03 172.03 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.421 ' HB3' ' HB3' ' A' ' 114' ' ' ALA . 25.4 mmm -133.43 161.58 34.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -74.95 -64.11 2.4 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -104.43 160.67 14.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.88 -30.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.72 96.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.421 ' HB3' ' HB3' ' A' ' 109' ' ' MET . . . -58.15 -53.27 60.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.787 0.327 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 47.7 ttt-85 -53.76 -46.92 71.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -57.43 -49.44 76.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.81 -63.5 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 73.6 t -44.96 -46.98 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.57 -41.22 98.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.2 t -87.27 43.43 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.588 ' NE2' ' H ' ' A' ' 122' ' ' SER . 0.0 OUTLIER -104.25 125.47 50.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.913 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.588 ' H ' ' NE2' ' A' ' 121' ' ' GLN . 1.8 m -42.76 -70.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.842 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -136.51 136.18 39.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 121' ' ' GLN . 77.6 m-70 -100.13 132.34 45.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 98.4 p -160.32 136.35 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.13 39.91 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 57.8 66.57 2.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 140.72 -60.18 0.56 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.49 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -106.18 165.58 11.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 7.0 tpp180 -95.58 158.87 15.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.8 mt -129.85 165.03 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -129.6 73.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.854 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 62.1 t -79.6 127.92 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -141.74 153.07 64.31 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.574 0.702 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.56 135.95 20.68 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.7 tpt85 -75.82 67.07 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -96.38 122.78 39.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 139' ' ' LYS . 3.5 pm0 -118.14 133.09 56.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 138' ' ' GLN . 38.4 mtmt 35.85 46.57 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -141.66 143.91 33.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -164.18 127.37 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 53.77 46.24 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 18.4 t -48.33 143.69 6.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.684 0.754 . . . . 0.0 110.858 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -78.23 -10.3 16.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -91.8 93.02 8.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.8 m -82.94 -50.44 8.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -145.24 142.33 29.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 53.1 m -81.2 144.17 53.77 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.39 130.8 11.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.656 2.237 . . . . 0.0 112.363 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -93.21 -51.35 5.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.976 . . . . . . . . 0 0 . 1 stop_ save_